Yes! Doctoral and Masters students have developed new fields of high-accuracy X-ray Absorption Spectroscopy: XERT; Hybrid;
high-accuracy X-ray Emission Spectroscopy [SeaFFluX] and propagation of uncertainty in XANES and XAFS analysis [mu2chi];
electron inelastic scattering (mean free path) experiment and theory; coupled plasmon theory; non-destructive nanoroughness measurement;
and made major developments in dominant fields of X-ray science and relativistic Quantum Mechanics; and major contributions to Alzheimers disease, dementia and mammography.
Who am I?
Professor of Physics at The University of Melbourne.
Fellow of the Australian Institute of Physics.
Fellow, American Physical Society.
Lawrence Bragg Medal, for distinguished contributions to science involving X-ray, neutron, electron diffraction and/or imaging 2021.
Editor-in-Chief, Radiation Physics and Chemistry 2010-
Chair, International IUCr Commission on XAFS 2013-2021
Editor-in-Chief, International Tables for Crystallography Volume I: X-ray Absorption Spectroscopy and Related Techniques
President, International Radiation Physics Society 2015 - 2018
As at October 2024, I have published some 241 [Update] refereed scholarly papers/book chapters,
plus an additional 424
conference presentations including some 108 invited orals and 93 selected orals.
Google Scholar link http://scholar.google.com.au/citations?user=Z4o4cGAAAAAJ
Total Citations 6104 [Update]. h-index = 37 [ISI Cite Search, Google Scholar] [Update]
For my fields and physics in general, more useful measures are publications per author or citations per author.
Estimates from Google Scholar and ISI Cited reference search 2024 [Update] are 79 publications per author and
2806 citations per author
School of Physics (Room 713)
Cnr Elgin St / Swanston St [Building 192]
University of Melbourne, Parkville, Victoria, 3010, AUSTRALIA
Phone: +61 (0)3 8344 5437 (Office, Room 713, 7th floor)
Fax: +61 (0)3 9347 4783
URL: https://www.ph.unimelb.edu.au/~chantler/opticshome/home.html
Other Membership, Positions:
Member, American Chemical Society, 2010-
Member, American Physical Society, 2007-
Member, Optical Society of America 1993-;
American Institute of Physics 1993-;
Australian Optical Society 1994-
Institute of Physics (UK), 2004-
Society of Crystallographers in Australia and New Zealand, 1999-;
International Radiation Physics Society, 1999-
International X-ray Absorption Fine Structure Society, 2006-;
Australian X-ray Analytical Association, 2006-
Associate Editor, Australian Optical Society News 1995-
Web-site coordinator, AOS , 2000 - 2015
Councillor & Director, Australian Optical Society (AOS) 1996-2007
International Scientific Advisory Committee, XVUV, 2008-; X-ray and Inner Shell Processes, 2005-2008
Hollywood Senior High School, Perth, Western Australia 1975 - 1979
BSc (Hons 1) University of Western Australia, 1980 - 1984.
D. Phil. Exeter College, Oxford University 1985 - 1990.
Prizes:
Lawrence Bragg Medal, for distinguished contributions to science involving X-ray, neutron, electron diffraction and/or imaging 2021.
International JARI Enterprise Award by IRPS - for Outstanding work in the radiation sciences,
the nature of the research being recognised to be of a leading and challenging nature- 2006
David Syme Research Prize for - original research making an important contribution to the fields of Biology,
Chemistry, Geology or Physics - by an Australian researcher (awarded 16 May 2007) 2006
Lindemann Fellowship of the English-Speaking Union of the Commonwealth 1991-1992
St Anne's College Drapers' Company Junior Research Fellowship October 1989-1991
Shell Australia Postgraduate Scholarship for Science and Engineering 1985-88
Lady James Prize (Physical Science, UWA) 1983 (shared)
Digby-Fitzhardinge Memorial Prize for Physics (UWA) 1982.
Citations - for one of the best five works done at one of the APS sectors - for 2000,
in independent experiments on beamlines 1-ID and 12. Citation (APS Forefront 2001)
for outstanding research of the past year (2001) for beamline 2-ID-B, Paterson et al., pp178-180
You may have seen me...
In Perth, U.W.A., Western Australia; in the Clarendon Laboratory or Nuclear Physics Building, Oxford,
U.K.; at the Quantum Metrology Division & EBIT Group, Atomic Physics Division,
N.I.S.T, Gaithersburg, Maryland, USA; GSI, Darmstadt, Germany;
LBL, Berkeley, California; APS, Chicago; ANBF, Tsukuba, Japan; ESRF, France...
Key conferences...
Co-Chair, ICDA-3, 2019, Lisbon, Portugal
Scientific Program, Advisory Board, ISRP, 2018, Cordoba, Argentina
Co-Chair, Q2XAFS, 2017, Diamond, UK.
Co-Chair, XAFS Workshop, IUCr Congress 2017, Hyderabad, India.
ISRP-13 Scientific Program Committee and Advisory Board, 2015, Beijing, China
International Advisory and Program Committee, IXAS, 2015, Karlsruhe, Germany
Chair, ISRP 2009, Melbourne. International Symposium on Radiation Physics
Chair, Forum on Future Directions in Atomic and Condensed Matter Science, Melbourne 2008
Australian X-ray Analytical Association Conference 2008 Programme Committee
Scientific Program Chair, X2005, Melbourne, Victoria, Australia, 2005 & Proceedings Editor
International Scientific Advisory Committee, XVUV
International Scientific Advisory Committee, X-ray and Inner Shell Processes
Research Fields: Theory, Experiment and Applications
How do X-rays get absorbed, diffract and scatter from matter?
Can we predict the shape of X-ray Absorption Fine Structure?
Do we understand the fundamental forces between charges?
QED
Relativistic Atomic Theory
X-ray Optics and Atomic Physics: Theory and Experiment
XAFS and Condensed Matter Science: Theory and Experiment
X-ray Extended Range Technique for high-accuracy absorption and scattering measurement
Non-destructive Measurement of Nanoroughness
Measurement and Theory of the Inelastic Mean Free Path of the Electron
Theoretical and Laboratory Astrophysics
Biophysics: Biomedical and Chemical Applications
Plasma Physics
Powder Diffraction and X-ray Crystallography
Applications to Earth Sciences, Biology and Organometallics
QED:
Quantum Electro-dynamics (QED) explains how light interacts with matter and is
fundamental to most of the technology we use today.
Quantum Electrodynamics is one of the two best-tested theories in physics and science.
It is the most trusted example of a Quantum Field Theory in practice.
Yet certain problems in its formulation lead people like Roger Penrose to assume that there are fundamental flaws
in the theory.
Our experiments at the cutting edge may reveal such an inadequacy, by being more sensitive to important
terms and interactions than other available tests.
Coming experiments can test alternate competing theories.
QED is the primary explanation of the interaction of light and charge,
and is fundamental to much of the physics which we assume and rely on in the world today.
Experimental and theoretical developments in 1998 - 2021
are questioning the current theoretical approaches.
Can hints of string theory, extra dimensions, or other formulations be found in atoms?
Are our approaches to field theory and QED complete? Are our treatments of correlation and correlated QED complete?
In particular, our recent (2012) discrepancy and pattern is reported in Phys Rev Lett and Physics Today and appears to be a significant (over 5 s.e.) discrepancy from latest theory.
This anomaly has been strengthened in 2014 publications with much media comment. A key dilemma is to let the experimental data and uncertainties speak for themselves
without forcing them to agree with preconceptions; and indeed to allow for and uncover systematic effects as far as possible.
The investigation of the discrepancy for muonic hydrogen reported in Nature is another discrepancy in fundamental physics which will not go away after almost 5 years of intensive research.
People like Ulrich Jentshura have commented that, as it stands, it is a critical test of physics beyond the Standard Model, despite or because it is at low interaction energies.
See below, some of these discussions have led to the realisation of value and prehaps truth in a Welton picture of QED, in particular for self-energy, and in particular the LCG-Welton model (Lowe, Chantler, Grant).
Our analysis uses a minimalist least-squares fitting procedure
and to first order assumes uncertainties presented in the past literature are valid. This is fact raises the questions we have observed.
It is then the pattern of discrepancies which begins to speak for itself.
I have pursued precision tests of Quantum Electrodynamics in atomic
systems, and in a series of international collaborations have produced
several high-precision measurements of QED in the medium-to-high Z
regime. I have been involved in the development of X-ray specroscopy on
the novel Electron Beam Ion Trap devices, in collaborations primarily at NIST.
I have worked on few-electron physics for 30 years and have extensive experience
with investigations at accelerators in Oxford, GSI, Lawrence Berkeley Laboratory and Argonne.
We have performed the most precise measurements of the resonance lines of a
helium-like ion in the Z=19-31 range, which allows sensitivity to two-electron QED
effects and excited-state QED effects.
See e.g.
213. T V B Nguyen, J A Lowe, T L H Pham, I P Grant, C T Chantler,
Electron Self-energy corrections using the Welton concept for atomic structure calculations,
Radiation Physics and Chemistry 204 (March) (2023) 110644 – 1-12 doi: 10.1016/j.radphyschem.2022.110644
167. C. T. Chantler, A. T. Payne, M. N. Kinnane, J. D. Gillaspy, L. T. Hudson, L. F. Smale, X-ray measurements in Helium-like Atoms increased discrepancy between experiment and theoretical QED, New Journal of Physics 16 (2014) 123037 - 1 - 15
166. A. T. Payne, C. T. Chantler, M. N. Kinnane, J. D. Gillaspy, L. T. Hudson, L. F. Smale, Helium-like titanium X-ray spectrum as a probe of QED computation, Journal of Physics B47 (2014) 185001-1-8
145. C. T. Chantler, M. N. Kinnane, J. D. Gillaspy, L. T. Hudson, A. T. Payne, L. F. Smale, A. Henins, J. M. Pomeroy, J. N. Tan, J. A. Kimpton, E. Takacs,
K. Makonyi,
Testing Three-body Quantum Electrodynamics with trapped Ti20+ ions: Evidence for a Z-dependent divergence between experiment and calculation.
Phys. Rev. Letts 109 (2012) 153001-1-5
>> Physics Today December Issue!! SK Blau, Search and Discovery, Physics Today, Dec (2012), p22; http://www.physicstoday.org/daily_edition/physics_update/highly_charged_ions_challenge_qed
117. J. D. Gillaspy, C. T. Chantler, D. Patterson, L. T. Hudson, F. G. Serpa, E. Takacs,
First measurement of Lyman alpha x-ray lines in hydrogen-like vanadium: results and implications
for precision wavelength metrology and tests of QED, J. Phys. B 43 (2010) 074021-1 -9
112. C. T. Chantler, J .M. Laming, J. D. Silver, D. D. Dietrich, P. H. Mokler, E. C. Finch, S. D. Rosner,
The Hydrogenic Lamb Shift in Germanium, Ge31+ and fine structure Lamb shift, Phys. Rev. A80 (2009) 022508
110. C. T. Chantler, J. A. Kimpton, Recent developments in X-ray tests of QED,
Can. J. Phys. 87 (2009) 763-772
105. C. T. Chantler, J. M. Laming, D. D. Dietrich, W. A. Hallett, R. McDonald, J. D. Silver,
The Hydrogenic Lamb Shift in Iron, Fe25+ and fine structure, Phys. Rev. A76 (2007) 042116-1-19
79. C. T. Chantler,
"Discrepancies In Quantum Electro-Dynamics,"
Radiation Physics and Chemistry 71 (2004) 607-617
62. C.T. Chantler, D. Paterson, L.T. Hudson, F.G. Serpa, J.D. Gillaspy, E. Takacs,
"Absolute measurement of the resonance lines in heliumlike vanadium on an electron-beam ion trap,"
Phys. Rev. A62 (2000) 042501:1-13
51. E. Takacs, E. S. Meyer, J. D. Gillaspy, J. R. Roberts, C. T. Chantler, L. T. Hudson, R. D. Deslattes, C. M. Brown, J. M. Laming, U. Feldman, J. Dubau, M. K. Inal,
Polarization measurements on a magnetic quadrupole line in Ne-like barium, Phys. Rev. A54 (1996) 1342-1350. [first absolute polarization studies performed on an EBIT]
45. S. N. Lea, W. A. Hallett, A. J. Varney, C. T. Chantler, P. E. G. Baird, J. D. Silver, A. R. Lee, J. Billowes, Intra-cavity laser resonance spectroscopy of hydrogen-like silicon ions,
Phys. Lett. A185 (1994) 327-332.
38. H. F. Beyer, K. D. Finlayson, D. Liesen, P. Indelicato, C. T. Chantler, R. D. Deslattes, J. Schweppe, F. Bosch, M. Jung, O. Klepper, W. Konig, R. Moshammer, K. Beckert,
H. Eickhoff, B. Franzke, a. Gruber, F. Nolden, P. Spadtke, M. Steck, X-ray transitions associated with electron capture into bare dysprosium,
J. Phys. B26 (1993) 1557-1567.
33. J. M. Laming, C. T. Chantler, J. D. Silver, D. D. Dietrich, E. C. Finch, P. H. Mokler, S. D. Rosner, A Differential Measurement of the Ground State Lamb Shift in Hydrogenic Germanium, Ge31+,
NIM B31 (1988) 21-23
Investigation of new structure in atomic systems has continually developed our
understanding of physics and quantum phenomena. One of the goals of much current
research is to test Quantum Electro-Dynamics (QED) critically in new and important
regimes. Some areas of parallel investigations include exotic atoms like muonic hydrogen, muonium,
and positronium, and some investigations have involved g-2 experiments in different
systems. Most effort has been directed to Lamb shift measurements in hydrogenic and
helium-like systems. A significant realisation of recent years is that these
complementary endeavours are investigating different
fundamental issues and making major contributions to different fields.
Relativistic Atomic Theory:
How can relativistic quantum mechanics predict absorption and scattering coefficients, and
are the results accurate?
We have seen major insight from advanced relativistic theory
which has resolved some key anomalies in the literature:
Here the atomic scattering factor is given for Uranium at medium X-ray
energies (keV). Click the figure for the corresponding attenuation coefficients.
Some of our theoretical developments in the computation of form factors
have resulted in significant improvements upon earlier work, which can be
tested by suitable experiments. The computations have been confirmed in selected regions.
Atomic form factors determine photoelectric cross-sections, elastic and inelastic
scattering cross-sections and X-ray (Bragg-Laue) coherent diffraction profiles.
Major discrepancies exist between theory and experiment.
The Web database has been receiving 20000 hits per month since electronic installation as one of the three major references for
atomic form factors and attenuation coefficients.
Reliable knowledge of these
factors is required for conventional fields such as crystallography and radiography,
and also for the new fields of X-ray Anomalous Fine Structure (XAFS) and
Multiple-wavelength Anomalous Dispersion (MAD).
Our theoretical work in relativistic atomic structure and spectroscopy has led to an investigation of the role of QED (self-energy) in these codes and in the corresponding spectra, linking up to the experimental QED tests:
213. T V B Nguyen, J A Lowe, T L H Pham, I P Grant, C T Chantler,
Electron Self-energy corrections using the Welton concept for atomic structure calculations,
Radiation Physics and Chemistry 204 (March) (2023) 110644 – 1-12 doi: 10.1016/j.radphyschem.2022.110644
169. C T Chantler, TVB Nguyen, JA Lowe, IP Grant,
Convergence of the Breit interaction in self-consistent and configuration-interaction approaches,
Phys Rev A90 (2014) 062504 - 1 - 8.
154. J. A. Lowe, C. T. Chantler, I. P. Grant,
Self-energy screening approximations in multi-electron atoms,
Rad. Phys. Chem. 85 (2013) 118-123
and investigations of correlation terms:
For significant theoretical advances on the X-ray Characteristic resonance transitions, see:
241. J W Dean, S N Thompson, C T Chantler,
Ab Initio Manganese Kα and Kβ Energy Eigenvalues, Shake-Off Probabilities, Auger Rates, with Convergence Tests,
Molecules 29 (2024) 4199 – 1 - 26. Doi 10.3390/molecules29174199
238. J W Dean, H A Melia, T V B Nguyen, C T Chantler,
Scandium Kα and Kβ X-ray spectra with ab initio satellite intensities and energy eigenvalues,
Phys. Rev. A 109 (2024) 022809 – 1 - 16
214. H A Melia, J W Dean, T V B Nguyen, C T Chantler,
The Copper Kα3,4 Satellite Spectrum with ab initio Auger Rate Calculations, Supp Mat. Physical Review A107(2023) 012809-1-15
DOI: 10.1103/PhysRevA.107.012809
211. J W Dean, C T Chantler, B Ganly,
Ab Initio Calculations of Auger Electron Kinetic Energies: Breadth and Depth
Radiation Physics and Chemistry 200 (2022)110472-1-7
208. J W Dean, P Pushkarna H A Melia, T V B Nguyen, C T Chantler,
Theoretical Calculation of Characteristic Radiation: Multiconfiguration Dirac-Hartree-Fock Calculations in Scandium Kα and Kβ.
J. Phys. B: At. Mol. Opt. Phys. 55 (2022) 075002 – 1 -13 https://doi.org/10.1088/1361-6455/ac61ed
207. T V B Nguyen, H A Melia, Finn I Janssen, C T Chantler,
Multiconfiguration Dirac-Hartree-Fock theory for copper Kα and Kβ diagram lines, satellite spectra and ab initio determination of single and double shake
probabilities, Phys Rev A105 (2022) 022811-1-19 DOI: 10.1103/PhysRevA.105.022811
205. T V B Nguyen, H A Melia, F I Janssen, C T Chantler,
Theory of Copper Kα and Kβ Diagram Lines, Satellite Spectra, and ab initio Determination of Single and Double Shake Probabilities,
Physics Letters A 426 (2021) 127900-1-5
194. Melia, Hamish A, Chantler, CT, Smale, LF, Illig, AJ,
The Characteristic Radiation of Copper K beta including radiative Auger processes,
J Phys B 53 (19) (2020) 195002-1-12
187. H A Melia, C T Chantler, L F Smale, A J Illig,
The Characteristic Radiation of Copper K alpha1,2,3,4,
Acta Cryst A75 (2019) 527-540
176. T L H Pham, T V B Nguyen, J A Lowe, I P Grant, CT Chantler,
Characterisation of the Copper K beta X-ray Emission Profile: An Ab initio Multi-Configuration Dirac-Hartree-Fock Approach With Bayesian Constraints.
J Physics B 49 (2016) 035601- 1-14
152. C. T. Chantler, J. A. Lowe, I. P. Grant,
High-accuracy reconstruction of titanium x-ray photoemission spectra, including relative intensities, asymmetry and satellites, and ab initio determination
of shake magnitudes for transition metals,
J. Phys. B 46 (2012) 015002
>> http://iopscience.iop.org/0953-4075 citing C. T. Chantler, J. A. Lowe, I. P. Grant, J. Phys. B 46 (2012) 015002
143. C. T. Chantler, J. A. Lowe, I. P. Grant,
Anomalous satellite intensity discrepancy in copper X-ray lines
Phys. Rev. A85 (2012) 032513.
133. C. T. Chantler, J. A. Lowe, I. P. Grant,
Multiconfiguration Dirac Fock calculations in open shell atoms: Convergence methods and satellite spectra of copper K a photoemission
spectrum, Phys. Rev. A82 (2010) 052505-1-4
132. J. A. Lowe, C. T. Chantler, I. P. Grant,
A new approach to relativistic multi-configuration quantum mechanics for complex systems /
Theoretical determination of characteristic X-ray lines and the titanium K a spectrum, Physics Letts A374 (2010) 4756
113. C. T. Chantler, A. L. C. Hayward, I. P. Grant,
Theoretical determination of characteristic X-ray lines and the copper K alpha spectrum,
Phys. Rev. Letts 103 (2009) 123002-1-4 doi: 10.1103/PhysRevLett.103.123002
For novel investigations into astrophysical and related transitions in the optical and UV spectrum, see:
165. T. V. B. Nguyen, C. T. Chantler, J. A. Lowe, I. P. Grant,
Advanced ab initio relativistic calculations of transition probabilities for some OI and OIII emission lines,
Monthly Notices of the Royal Astronomical Society 440 (2014) 3439-3443
158. C. T. Chantler, T. V. B. Nguyen, J. A. Lowe, I. P. Grant,
Relativistic Calculation of Transition Probabilities for 557.7nm and 297.2nm Emission Lines in Oxygen,
The Astrophysical Journal 769 (2013) 84-1-5
For experimental investigation and characterisation, see e.g.:
238. J W Dean, H A Melia, T V B Nguyen, C T Chantler,
Scandium Kα and Kβ X-ray spectra with ab initio satellite intensities and energy eigenvalues,
Phys. Rev. A 109 (2024) 022809 – 1 - 16
225. N. T. T. Tran, D. Sier, T. Kirk, C. Q. Tran, J. F. W. Mosselmans, S. Diaz-Moreno, C. T. Chantler,
A New Satellite of Manganese revealed by Extended-Range High-Energy-Resolution Fluorescence Detection
J Synch Rad 30 (2023) 605-612 10.1107/S1600577523002539
214. H A Melia, J W Dean, T V B Nguyen, C T Chantler,
The Copper Kα3,4 Satellite Spectrum with ab initio Auger Rate Calculations, Supp Mat. Physical Review A107(2023) 012809-1-15
DOI: 10.1103/PhysRevA.107.012809
199. J W Dean, C T Chantler,
Vignetted photon fields, recharacterization of V K alpha, and reduction of X-ray uncertainties by a factor of two.
X-ray Spectrometry (2020) 134-144
196. J W Dean. CT Chantler, L F Smale, H A Melia,
An Absolute Energy Measurement of Scandium K beta to 2 parts per million,
J Phys B53 (2020) 205004 - 1 - 10
194. Melia, Hamish A, Chantler, CT, Smale, LF, Illig, AJ,
The Characteristic Radiation of Copper K beta including radiative Auger processes,
J Phys B 53 (19) (2020) 195002-1-12
190. J W Dean. CT Chantler, L F Smale, H A Melia,
High Accuracy Characterisation for the Absolute Energy of Scandium K alpha,
J Phys B 52 (2019) 165002 - 1 -12
187. H A Melia, C T Chantler, L F Smale, A J Illig,
The Characteristic Radiation of Copper K alpha1,2,3,4,
Acta Cryst A75 (2019) 527-540
186. H A Melia, J W Dean, L F Smale, A J Illig, C T Chantler,
Count-rate, linearity, and performance of new backgammon detector technology
X-ray Spectroscopy 48 (2019) 218-231
176. T L H Pham, T V B Nguyen, J A Lowe, I P Grant, CT Chantler,
Characterisation of the Copper K beta X-ray Emission Profile: An Ab initio Multi-Configuration Dirac-Hartree-Fock Approach With Bayesian Constraints.
J Physics B 49 (2016) 035601- 1-14
170. L. F. Smale, C. T. Chantler, J. A. Kimpton, Methodology for the Characterisation of Characteristic Spectral Profiles, Applied to chromium K beta, X-ray Spectrometry 54 (2015) 54-62.
160. A J Illig, C T Chantler, A T Payne, Voigt Profile Characterisation of Copper K alpha, Journal of Physics B46 Sept (2013) 235001-1-11
>>> Laboratory Highlight invited. A J Illig, C T Chantler, A T Payne, Determination of the 2p satellite profile through an improved characterization of copper K alpha, citing A J Illig, C T Chantler, A T Payne, Voigt Profile Characterisation of Copper K alpha, Journal of Physics B46 Sept (2013) 235001-1-11, http://m.iopscience.iop.org/0953-4075/labtalk-article/56166
159. C. T. Chantler, L. F. Smale, J. A. Kimpton, D. N. Crosby, M. N. Kinnane, A. J. Illig,
Characterization of Titanium K beta spectral profile,
J Phys B46(2013)145601-1-10
155. L. F. Smale, C. T. Chantler, J. A. Kimpton, D. N. Crosby, M. N. Kinnane,
Characterization of K beta spectral profile for vanadium,
Phys. Rev. A87 (2013) 022512-1-7
89. C. T. Chantler, M. N. Kinnane, C.-H. Su, J. A. Kimpton, "
Characterisation of K alpha spectral profiles for Vanadium, and development of satellite structure
for Z=21 to Z=25, " Phys. Rev. A73 (2006) 012508:1-16
For the major US Tabulations of atomic form factors and attenuation, see:
61. C. T. Chantler, Detailed new tabulation of atomic form factors and attenuation coefficients in the near-edge soft X-ray regime (Z=30-36, Z=60-89,
E=0.1 keV 8 keV), addressing convergence issues of earlier work, J. Phys. Chem. Ref. Data. 29(4) (2000) 597-1056.
47. C. T. Chantler, Theoretical form factor, attenuation and scattering tabulation for Z=1-92 from E=1-10 eV to E=0.4-1.0 MeV, J. Phys. Chem. Ref. Data 24 (1995), 71-643.
Our recent experiments are two orders of magnitude more accurate than earlier work
and reveal new physics, new processes and new applications.
If we understand how light interacts with matter, we can use this insight
in further applications.
The way that X-rays interact with matter should be well understood.
However, deviations between latest theoretical computations lies at the 10%
level over much of the energy ranges, for most elements. Even for the most
investigated elements such as Si, Cu, Ag, Au, the few experiments which
claim 1% precision show variation of 5-30%. We are addressing this with
synchrotron experiments and with state-of-the-art facilities.
Recent results have broken through this barrier to an unprecedented
0.01% precision and 0.02%-0.3% accuracy - an
improvement of two orders of magnitude over previous work.
See e.g.
238. J W Dean, H A Melia, T V B Nguyen, C T Chantler,
Scandium Kα and Kβ X-ray spectra with ab initio satellite intensities and energy eigenvalues,
Phys. Rev. A 109 (2024) 022809 – 1 - 16
225. N. T. T. Tran, D. Sier, T. Kirk, C. Q. Tran, J. F. W. Mosselmans, S. Diaz-Moreno, C. T. Chantler,
A New Satellite of Manganese revealed by Extended-Range High-Energy-Resolution Fluorescence Detection
J Synch Rad 30 (2023) 605-612 10.1107/S1600577523002539
196. J W Dean. CT Chantler, L F Smale, H A Melia,
An Absolute Energy Measurement of Scandium K beta to 2 parts per million,
J Phys B53 (2020) 205004 - 1 - 10
194. Melia, Hamish A, Chantler, CT, Smale, LF, Illig, AJ,
The Characteristic Radiation of Copper K beta including radiative Auger processes,
J Phys B 53 (19) (2020) 195002-1-12
190. J W Dean. CT Chantler, L F Smale, H A Melia,
High Accuracy Characterisation for the Absolute Energy of Scandium K alpha,
J Phys B 52 (2019) 165002 - 1 -12
187. H A Melia, C T Chantler, L F Smale, A J Illig,
The Characteristic Radiation of Copper K alpha1,2,3,4,
Acta Cryst A75 (2019) 527-540
176. T L H Pham, T V B Nguyen, J A Lowe, I P Grant, CT Chantler,
Characterisation of the Copper K beta X-ray Emission Profile: An Ab initio Multi-Configuration Dirac-Hartree-Fock Approach With Bayesian Constraints.
J Physics B 49 (2016) 035601- 1-14
159. C. T. Chantler, L. F. Smale, J. A. Kimpton, D. N. Crosby, M. N. Kinnane, A. J. Illig,
Characterization of Titanium K beta spectral profile,
J Phys B46(2013)145601-1-10
155. L. F. Smale, C. T. Chantler, J. A. Kimpton, D. N. Crosby, M. N. Kinnane,
Characterization of K beta spectral profile for vanadium,
Phys. Rev. A87 (2013) 022512-1-7
152. C. T. Chantler, J. A. Lowe, I. P. Grant,
High-accuracy reconstruction of titanium x-ray photoemission spectra, including relative intensities, asymmetry and satellites, and ab initio determination
of shake magnitudes for transition metals,
J. Phys. B 46 (2012) 015002
>> http://iopscience.iop.org/0953-4075 citing C. T. Chantler, J. A. Lowe, I. P. Grant, J. Phys. B 46 (2012) 015002
143. C. T. Chantler, J. A. Lowe, I. P. Grant,
Anomalous satellite intensity discrepancy in copper X-ray lines
Phys. Rev. A85 (2012) 032513.
136. J. A. Lowe, C.T. Chantler, I. P. Grant,
Ab initio determination of satellite intensities in the transition metals using a multiconfiguration framework,
Phys. Rev. A83 Rapid Communication (2011) 060501(R)-1-4
133. C. T. Chantler, J. A. Lowe, I. P. Grant,
Multiconfiguration Dirac Fock calculations in open shell atoms: Convergence methods and satellite spectra of copper K a photoemission
spectrum, Phys. Rev. A82 (2010) 052505-1-4
132. J. A. Lowe, C. T. Chantler, I. P. Grant, A new approach to relativistic multi-configuration quantum mechanics for complex systems /
Theoretical determination of characteristic X-ray lines and the titanium K a spectrum, Physics Letts A374 (2010) 4756
87. M. D. de Jonge, C. Q. Tran,
C. T. Chantler, Z. Barnea, B. B. Dhal, D. J. Cookson, W.-K. Lee, A. Mashayekhiand,
"Measurement of the x-ray mass attenuation coefficient and determination of the
imaginary component of the atomic form-factor of molybdenum over the
energy range of 13.5 keV -41.5 keV," Phys. Rev. A 71 , 032702:1-16 (2005)
[100 times more accurate than earlier literature, giving proof-of-principle of XERT]
59. C. T. CHANTLER, Z. BARNEA, C. Q. TRAN, J. TILLER, D. PATERSON, Precision X-ray optics for fundamental interactions in atomic physics, resolving discrepancies in the X-ray regime,
Optical & Quantum Electronics 31 (1999) 495-505.
7. C. T. Chantler, "Towards improved form factor tables", pp 61-78,
Invited review chapter in Resonant Anomalous X-Ray Scattering. Theory and Applications,
G. Materlik, K. Fischer, C.J. Sparks, eds, (Elsevier, North-Holland, 1994).
XAFS and Condensed Matter Science: Theory and Experiment
X-ray Absorption Fine Structure (XAFS) is a complex structure seen in the absorption coefficient
just above the absorption edge, where an incoming X-ray has enough energy to ionise an electron from
a particular bound state. The oscillations seen are particularly due to an interference effect
between the emitted photoelectron and its own reflected wave. This signature
allows many investigations of local structural information for crystallographers, chemists,
medical scientists, mining and engineering investigations.
Medical and biomedical research depends upon linking structure to function, and is dominated by the dynamics of active centres.
This lies at the centre of XAFS research whenever the key catalytic agent is metallic or has an atomic number above 10.
Some third or more of Australian synchrotron research uses X-ray Absorption Spectroscopy and X-ray Absorption Fine structure
(XAFS, and the related technique called XANES)
to identify bond distances, chemical valence, nearest neighbour coordination and geometry,
and local structure.
Our new experimental techniques allow XAFS determination with an accuracy increased by up to
two orders of magnitude, which in turn challenges all available theory and modelling.
Our analytical work puts these discrepancies on a firm foundation, and our theoretical development
holds promise to develop new tools and methods of insightful analysis.
We have produced the first encyclopaedia on X-ray Absorption Spectroscopy, by the International Union of Crystallography,
edited with Bruce Bunker and Federico Boscherini,
is now published and distributed, even available from Amazon! It took over 8 years.
Some 152 chapters by world experts on relativistic quantum mechanics and X-ray absorption spectroscopy, which is one of the two main techniques for structure determination in materials at synchrotrons and lab sources.
Some 1074 pp. Each page is like 2-3 normal pages ...
Here are two links for some background information.
https://www.iucr.org/news/newsletter/etc/articles?issue=158542&result_138339_result_page=7
https://www.iucr.org/news/newsletter/etc/articles?issue=158542&result_138339_result_page=8
The encyclopaedia, ITCI, can be found on Amazon, IUCr and Wiley.
With Yves Joly, Chris Ryan, Don MacNaughton, Stephen Best, Zwi Barnea and others, we worked to develop theoretical and experimental resources for XAS for
high-accuracy experiments and extreme chemistry and earth science investigations.
See e.g.
239. R S K Ekanayake, V A Streltsov, S P Best and C T Chantler,
Nanostructure and dynamics of N-truncated Copper Amyloid-β peptides from advanced X-ray absorption fine structure.
IUCr J 11(2024) 325-346 doi 10.1107/S2052252524001830, IUCr Congress Collected Special / Virtual Issue.
237. R S K Ekanayake, V A Streltsov, S P Best and C T Chantler,
Using XAS to monitor Radiation Damage in real time and post-analysis and investigation of systematics of fluorescence X-ray absorption spectroscopy
for Cu-bound Amyloid-beta,
Journal of Applied Crystallography 57 (2024) 125-139, doi.org/10.1107/S1600576723010890
188. C T Chantler, J D Bourke,
Low-energy electron properties: Electron inelastic mean free path, energy loss function and the dielectric function. Recent measurement and the plasmon-coupling theory.
Ultramicroscopy 201 Mar (2019) 38-48
178. J D Bourke, C T Chantler, Y Joly,
FDMX: Extended X-ray Absorption Fine Structure Calculations Using the Finite Difference Method,
Journal of Synchrotron Radiation 23 (2016) 551-559
175. C T Chantler, J D Bourke,
New constraints for low-momentum electronic excitations in condensed matter:
fundamental consequences from classical and quantum dielectric theory,
Journal of Physics Condensed Matter 27 (2015) 455901 - 1 -7
171. J D Bourke, C T Chantler,
Momentum-Dependent Lifetime Broadening of Electron Energy Loss Spectra: A Self-Consistent Coupled-Plasmon Model,
Journal of Physical Chemistry Letters 6 (2015) 314-319
168. C T Chantler, J D Bourke,
Investigation of Momentum-Dependent Lifetime Broadening of Electron Energy Loss Spectra: Sum Rule Constraints and an Asymmetric Rectangle Toy Model, Phys Rev B90 (2014) 174306-1 - 8
164. C. T. Chantler, J. D. Bourke,
Full-potential theoretical investigations of inelastic mean free paths and extended X-ray absorption fine structure in molybdenum,
Journal of Physics Condensed Matter 26 (2014) 145401 - 1 - 8.
163. C. T. Chantler, J. D. Bourke,
Electron Inelastic Mean Free Path Theory and Density Functional Theory resolving low-Energy discrepancies for low-energy electrons in copper, Journal of Physical Chemistry A118 (2014) 909-914
162. J D Bourke, C T Chantler,
Low-Energy Electron Energy Losses and Inelastic Mean Free Paths in Zinc, Selenium, and Zinc Selenide, ELSPEC 196 (2014) 142-145 [Journal of Electron Spectroscopy and Related Phenomena]
142. J. D. Bourke, C. T. Chantler,
Electron Energy Loss Spectra and Overestimation of Inelastic Mean Free Paths in Many- Pole models,
J. Phys. Chem A116, Mar. (2012) 3202-3205
131. C .T. Chantler, J. D. Bourke,
X-ray Spectroscopic Measurement of the Photoelectron Inelastic Mean Free Paths in Molybdenum,
Journal of Physical Chemistry Letters 1 (2010) 2422-2427
123. J. D. Bourke, C. T. Chantler,
Finite difference method calculations of long-range X-ray absorption fine structure for copper over k ~ 20 A-1,
NIM A619 (2010) 33-36 [Extension of FDM into far XERT regime (k>> 20)]
99. J. D. Bourke, C. T. Chantler, C. Witte, Finite Difference Method Calculations of X-ray Absorption Fine Structure for Copper,
Physics Letters A, 360 (2007), 702-706 [First demonstration that Finite Difference Method theory can be applied successfully in the XAFS regime.]
93. C. Witte, C. T. Chantler, E. C. Cosgriff, C. Q. Tran,
Atomic cluster calculation of the X-ray near-edge absorption of copper,
Radiation Physics & Chemistry 75 (2006) 1582-1585 [Proof of concept for the Finite Difference Method for XANES in copper]
88. E. Cosgriff, C. T. Chantler,
C. Witte, L. Smale, C. Q. Tran, "
Atomic cluster-structure calculations of the X-ray near-edge absorption of silver,"
Phys. Letts A343 (2005) 174-180
[First test of Finite Difference Methods applied to high-accuracy data sets.]
X-ray Extended Range Technique for high-accuracy absorption and scattering measurement:
The experimental measurements and high accuracy have a long history enmeshed with developments of synchrotron diagnostics and calibration systems.
Selected highlights follow:
212. M W John, D Sier, R S K Ekanayake, M J Schalken, C Q Tran, B Johannessen, M D de Jonge, P Kappen, C T Chantler,
High accuracy transmission and fluorescence XAFS of zinc at 10 K, 50 K, 100 K and 150 K using the Hybrid technique
J Synchrotron Radiation 30 (2023) 147-168 doi 10.1107/S1600577522010293
203. R S K Ekanayake, C T Chantler, D Sier, M J Schalken, A J Illig, M D de Jonge, B Johannesen, P Kappen, C Q Tran, High accuracy measurement of mass attenuation coefficients and the imaginary component of the atomic form factor of zinc from 8.51 keV to 11.59 keV, and X-ray absorption fine structure with investigation of zinc theory and nanostructure.
J Synch Rad (2021)
202. R S K Ekanayake, C T Chantler, D Sier, M J Schalken, A J Illig, M D de Jonge, B Johannesen, P Kappen, C Q Tran,
High accuracy mass attenuation coefficients, and X-ray absorption spectroscopy of zinc - the first X-ray Extended Range Technique-like experiment in Australia,
J Synch Rad (2021)
195. D Sier, G P Cousland, R S K Ekanayake, C Q Tran, J R Hester, C T Chantler,
High accuracy mass attenuation measurement and atomic structure determination of zinc selenide through the X-ray Extended Range Technique,
J Synch Rad. 27 (2020) 1262-1277
192. R M Trevorah, C T Chantler, M J Schalken,
New Features Observed in Self-Absorption Corrected X-ray Fluorescence Spectra with Uncertainties,
Journal of Physical Chemistry A124 (2019) 1634-1647
189. R M Trevorah, C T Chantler, M J Schalken,
Solving Self-Absorption in Fluorescence,
IUCr J 6 (2019) 586-602
184. M J Schalken, C T Chantler,
Propagation of uncertainty in experiment: structures of Ni (II) coordination complexes.
J Synch Rad 25 (2018) 920-934
180. J. D. Bourke, M. T. Islam, S. P. Best, C. Q. Tran, F Wang, C. T. Chantler,
Conformational Analysis of Ferrocene and Decamethylferrocene via Full-Potential Modelling of XANES and XAFS Spectra,
Journal of Physical Chemistry Letters 7 (2016) 2792-2796
179. M. T. Islam, J. D. Bourke, S. P. Best, L. J. Tantau, C. Q. Tran, F Wang, C. T. Chantler,
X-ray Absorption Spectra of Ferrocene and Decamethyl Ferrocene: Absolute Accuracy Measurements and Structural Analysis of Dilute Systems,
Journal of Physical Chemistry C 120 (2016) 9399 - 9418
174. M. T. Islam, C. T. Chantler, L. J. Tantau, C. Q. Tran, M. H. Cheah, A. T. Payne, S. P. Best,
Structural investigation of mM Ni(II) complex isomers using transmission XAFS: the significance of model development
Journal of Synchrotron radiation 22 (2015) 1475-1491
173. L. J. Tantau, C. T. Chantler, J. D. Bourke, M. T. Islam, A. T. Payne, N. A. Rae, C. Q. Tran,
Structure determination from XAFS using high-accuracy measurements of x-ray mass attenuation coefficients of silver,
11 keV to 28 keV, and development of an all-energies approach to local dynamical analysis of bond length, revealing variation of
effective thermal contributions across the XAFS spectrum,
J Phys Condensed Matter 27 (2015) 266301-1-17
172. C. T. Chantler, M. T. Islam, S. P. Best, L. J. Tantau, C. Q. Tran, M. H. Cheah, A. T. Payne, High accuracy X-ray Absorption Spectra of mM solutions of nickel(II) complexes with multiple solutions using transmission XAS. Journal of Synchrotron Radiation 22 (2015) 1008-1021
161. M. T. Islam, N. A. Rae, Z. Barnea, C. Q. Tran, C. T. Chantler,
Measurements of the x-ray mass attenuation coefficients of silver in the 5-20 keV range.
Journal of Synchrotron Radiation 21 (2014) 413-423.
120. J. L. Glover, C. T. Chantler, Z. Barnea, N. A. Rae, C. Q. Tran,
Measurement of the X-ray mass-attenuation coefficients of gold, derived quantities between 14 keV and 21 keV and determination of the bond
lengths of gold, J. Phys. B 43 (2010) 085001-1-15
119. M. T. Islam, N. A. Rae, J. L. Glover, Z. Barnea, M. D. de Jonge, C. Q. Tran, J. Wang, and C. T. Chantler,
Measurement of the x-ray mass attenuation coefficients of gold in the 38 keV - 50 keV energy range, Phys. Rev. A 81 (2010) 022903-1-9
118. N. A. Rae, C. T. Chantler, Z. Barnea, M. D. de Jonge, C. Q. Tran, J. R. Hester,
X-ray mass attenuation coefficients and imaginary components of the atomic form-factor of zinc over the energy range of 7.2 keV - 15.2 keV,
Phys. Rev. A 81 (2010) 022904-1-10
116. C. T. Chantler, C. Q. Tran, Z. Barnea, X-ray Absorption Fine
Structure for Single Crystals, J. Appl. Cryst. 43 (2010) 64-69
108. C. T. Chantler,
Development and Applications of Accurate Measurement of Absorption; The X-ray Extended Range Technique for
high accuracy absolute XAFS by transmission and fluorescence, European Physical Journal ST 169 (2009) 147-153
107. J. L. Glover, C. T .Chantler, Z. Barnea, N. A. Rae, C. Q. Tran, D. C. Creagh, D. Paterson, B. B. Dhal,
High-accuracy measurements of the X-ray mass-attenuation coefficient and imaginary component of the form factor of copper,
Phys. Rev. A78 (2008) 052902
104. J. L. Glover, C. T. Chantler,
The Analysis of X-ray Absorption Fine Structure: Beam-line independent interpretation,
Meas. Sci. Tech. 18 (2007) 2916-2920 [How XERT resolves major anomalies in current research.]
100. M. D. de Jonge, C. Q. Tran, C. T. Chantler, Z. Barnea, B. B. Dhal, D. Patterson, E. P. Kanter, S. H. Southworth, L. Young, M. A. Beno, J. A. Linton, G. Jennings,
Measurement of the x-ray mass attenuation coefficient and determination of the imaginary component of the atomic form-factor
of tin over the energy range of 29 keV - 60 keV, Phys. Rev. A75 (2007) 032702-1-14
85. C. Q. Tran, C. T. Chantler,
Z. Barnea, M. D. de Jonge, B. B. Dhal, C. T. Y. Chung, D. Paterson and J. Wang,
"Measurement of the x-ray mass attenuation coefficient of silver using the x-ray
extended range technique," J. Phys. B: At. Mol. Opt. Phys. 38 (2005) 89-107
77.
M. D. de Jonge, Z. Barnea, and C. T. Chantler,
"X-ray bandwidth: Determination by on-edge absorption and effect on various
absorption experiments," Phys. Rev. A 69 (2004) 022717-1 -12.
76.
C. Q. Tran, C. T. Chantler, Z. Barnea,
"X-Ray Mass Attenuation Coefficient of Silicon: Theory versus Experiment,"
Physical Review Letts 90 (2003) 257401-1-4
[resolution of theoretical and experimental discrepancies, a new experimental technique]
71. C. Q. Tran, Z. Barnea, M. D. de Jonge, B. B. Dhal, D. Paterson, D. Cookson, C. T. Chantler,
Quantitative Determination of Major Systematics in Synchrotron X-Ray Experiments:
Seeing Through Harmonic Components, X-ray Spectrometry 32 (2003) 69-74
70. C. T. Chantler, C.Q. Tran, Z. Barnea, D. Paterson, D. Cookson and D.X. Balaic,
Precision Measurement of the X-Ray Mass Attenuation Coefficient of Copper Using 8.85 keV - 20 keV
Synchrotron Radiation, Phys. Rev. A64 (2001) 062506-1 - 15.
66. C. T. Chantler, C.Q. Tran, D. Paterson, D. Cookson and Z. Barnea, "X-ray Extended-Range Technique for Precision Measurement
of the X-Ray Mass Attenuation Coefficient and Im(f) for Copper Using Synchrotron Radiation," Phys. Letts A286 (2001) 338-346.
65. C. T. Chantler, C. Q. Tran, D. Paterson, Z. Barnea, D. J. Cookson, Direct Observation of Scattering Contribution in X-ray Attenuation
Measurement, and evidence for Rayleigh scattering from copper samples rather than thermal-diffuse or Bragg-Laue scattering, Rad. Phys. Chem. 61 (2001) 347-350.
64. C. T. Chantler, C. Q. Tran, D. Paterson, D. J. Cookson, Z. Barnea,
"Monitoring fluctuations at a synchrotron beam-line using matched ion chambers:
2. Isolation of component noise sources, and application to attenuation measurements
showing increased precision by two orders of magnitude",
X-ray Spectrometry 29 (2000) 459-466
63. C.T. Chantler, C.Q. Tran, D. Paterson, Z. Barnea, and D.J. Cookson,
"Monitoring fluctuations at a synchrotron beam-line using matched ion chambers:
1. Modelling, data collection, and deduction of simple measures of association",
X-ray Spectrometry 29 (2000) 449-458
Non-destructive Measurement of Nanoroughness
This is a challenging new field. The first-fruits were:
111. J. L. Glover, C. T. Chantler, M. D. de Jonge,
Nano-roughness in gold revealed from X-ray signature, Phys. Lett. A373 (2009) 1177-1180
Band Theory, Cluster Theory, FDMX: Measurement and Theory of the Inelastic Mean Free Path of the Electron:
Another new field, because both theory and experiment are largely intractable for low energy electrons.
Our experimental and theoretical approaches show great promise and for the first time can define and inform new experimental
and theoretical methods for EELS and LEED, for ELFs and IMFPs:
142. J. D. Bourke, C. T. Chantler,
Electron Energy Loss Spectra and Overestimation of Inelastic Mean Free Paths in Many- Pole models,
J. Phys. Chem A116, Mar. (2012) 3202-3205
131. C .T. Chantler, J. D. Bourke,
X-ray Spectroscopic Measurement of the Photoelectron Inelastic Mean Free Paths in Molybdenum,
Journal of Physical Chemistry Letters 1 (2010) 2422-2427
121. J. D. Bourke, C .T. Chantler,
Measurements of Electron Inelastic Mean Free Paths in Materials, Phys. Rev. Letters 104 (2010) 206601-1-4
Theoretical and Laboratory Astrophysics
We have been invited to address some critical problems involving anomalies in astrophysical observations and data.
Tools to investigate these in laboratory sources or using advanced theory can reveal key pieces of outstanding problems and puzzles.
165. T. V. B. Nguyen, C. T. Chantler, J. A. Lowe, I. P. Grant, Advanced ab initio relativistic calculations of transition probabilities for some OI and OIII emission lines, Monthly Notices of the Royal Astronomical Society 440 (2014) 3439-3443
158. C. T. Chantler, T. V. B. Nguyen, J. A. Lowe, I. P. Grant,
Relativistic Calculation of Transition Probabilities for 557.7nm and 297.2nm Emission Lines in Oxygen,
The Astrophysical Journal 769 (2013) 84-1-5
Biophysics: Biomedical and Chemical Applications
Accurate theory and experiment crosses boundaries and becomes intrinsically interdisciplinary.
While this can be seen in our application in imaging, they are far more significant in spectroscopy, diffraction and XAFS,
as these are the dominant techniques used at synchrotrons and ergo have the greatest opportunities.
Some highlights include:
239. R S K Ekanayake, V A Streltsov, S P Best and C T Chantler,
Nanostructure and dynamics of N-truncated Copper Amyloid-β peptides from advanced X-ray absorption fine structure.
IUCr J 11(2024) 325-346 doi 10.1107/S2052252524001830, IUCr Congress Collected Special / Virtual Issue.
237. R S K Ekanayake, V A Streltsov, S P Best and C T Chantler,
Using XAS to monitor Radiation Damage in real time and post-analysis and investigation of systematics of fluorescence X-ray absorption spectroscopy
for Cu-bound Amyloid-beta,
Journal of Applied Crystallography 57 (2024) 125-139, doi.org/10.1107/S1600576723010890
210. R M Trevorah, C T Chantler,
Structural Analysis and Self-Absorption Correction of 1.5 mM and 15 mM Ni(II) Complexes: the limit of dilute systems with identical coordination number,
and conditions for subtle hypothesis testing,
Radiation Physics and Chemistry 200 (2022) 110212-1-6
201. S P Best, V A Streltsov, C T Chantler, W Li, P Ash, S Hayama, S Diaz-Moreno,
Redox State and Photoreduction Control using X-ray Spectroelectrochemical Techniques -Advances in Design and Fabrication Through Additive Engineering,
Journal of Synchrotron Radiation 28 (2021) 472-479 https://doi.org/10.1107/S1600577520016021
195. Daniel Sier, Geoffrey P Cousland, Ruwini S K Ekanayake, C Q Tran, J R Hester, C T Chantler,
High accuracy mass attenuation measurement and atomic structure determination of zinc selenide through the X-ray Extended Range Technique,
J Synch Rad. 27 (2020) 1262-1277
193. R M Trevorah, N TT Tran, SP Best, D Appadoo, F Wang, CT Chantler,
Resolution of Ferrocene and Deuterated Ferrocene Conformations using Dynamic Vibrational Spectroscopy: Experiment and Theory.
Inorganica Chimica Acta 506 (2020) 119491 - 1-10
192. R M Trevorah, C T Chantler, M J Schalken,
New Features Observed in Self-Absorption Corrected X-ray Fluorescence Spectra with Uncertainties,
Journal of Physical Chemistry A124 (2019) 1634-1647
189. R M Trevorah, C T Chantler, M J Schalken,
Solving Self-Absorption in Fluorescence,
IUCr J 6 (2019) 586-602
185. V A Streltsov, R S K Ekanayake, S C Drew, C T Chantler, S P Best,
Structural Insight into Redox Dynamics of Copper Bound N-truncated Amyloid-beta Peptides from in situ X-ray Absorption Spectroscopy, Inorg Chem 57 (2018) 11422-11435.
ic-2018-01255s.R2 (2018). 8b01255
184. M J Schalken, C T Chantler,
Propagation of uncertainty in experiment: structures of Ni (II) coordination complexes.
J Synch Rad 25 (2018) 920-934
181. S P Best, F Wang, M T Islam, S Islam, D Appadoo, R Trevorah, CT Chantler, Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene,
Chemistry - A European Journal, 22 (2016) 18019-18026. Cover
180. J. D. Bourke, M. T. Islam, S. P. Best, C. Q. Tran, F Wang, C. T. Chantler,
Conformational Analysis of Ferrocene and Decamethylferrocene via Full-Potential Modelling of XANES and XAFS Spectra,
Journal of Physical Chemistry Letters 7 (2016) 2792-2796
179. M. T. Islam, J. D. Bourke, S. P. Best, L. J. Tantau, C. Q. Tran, F Wang, C. T. Chantler,
X-ray Absorption Spectra of Ferrocene and Decamethyl Ferrocene: Absolute Accuracy Measurements and Structural Analysis of Dilute Systems,
Journal of Physical Chemistry C 120 (2016) 9399 - 9418
174. M. T. Islam, C. T. Chantler, L. J. Tantau, C. Q. Tran, M. H. Cheah, A. T. Payne, S. P. Best,
Structural investigation of mM Ni(II) complex isomers using transmission XAFS: the significance of model development
Journal of Synchrotron radiation 22 (2015) 1475-1491
172. C. T. Chantler, M. T. Islam, S. P. Best, L. J. Tantau, C. Q. Tran, M. H. Cheah, A. T. Payne,
High accuracy X-ray Absorption Spectra of mM solutions of nickel(II) complexes with multiple solutions using transmission XAS.
144. N. Mohammadi, A. Ganesan, C. T. Chantler, F. Wang,
Differentiation of ferrocene D_5d and D_5h conformers using IR spectroscopy,
Journal of Organometallic Chemistry 713 (2012) 51-59
141. C. T. Chantler, N. A. Rae, M. T. Islam, S. P. Best, J. Yeo, L. F. Smale, J. Hester, N. Mohammadi, F. Wang,
Stereochemical analysis of Ferrocene and the uncertainty of fluorescence XAFS data,
J Synch. Rad. 19 (2012) 145-158
120. J. L. Glover, C. T. Chantler, Z. Barnea, N. A. Rae, C. Q. Tran,
Measurement of the X-ray mass-attenuation coefficients of gold, derived quantities between 14 keV and 21 keV and determination of the bond
lengths of gold, J. Phys. B 43 (2010) 085001-1-15
115. C. T. Chantler, Accurate Measurement and Physical Insight: The X-ray Extended Range Technique for fundamental
atomic physics, condensed matter research and biological sciences,
Rad. Phys. Chem. 79 (2010) 117-123 doi:10.1016/j.radphyschem.2009.07.022
108. C. T. Chantler,
Development and Applications of Accurate Measurement of Absorption; The X-ray Extended Range Technique for
high accuracy absolute XAFS by transmission and fluorescence, European Physical Journal ST 169 (2009) 147-153
104. J. L. Glover, C. T. Chantler,
The Analysis of X-ray Absorption Fine Structure: Beam-line independent interpretation,
Meas. Sci. Tech. 18 (2007) 2916-2920 [How XERT resolves major anomalies in current research.]
53. L. T. Hudson, R. D. Deslattes, a. Henins, C. T. Chantler, E. G. Kessler, J. E. Schweppe, Curved Crystal Spectrometer for Energy Calibration and Spectral Characterization of
Mammographic X-ray Sources, Medical Physics 23 (1996) 1659-1670
51. C. T. Chantler, R. D. Deslattes, a. Henins, L. T. Hudson,
Flat and Curved Crystal Spectrography for Mammographic X-ray Sources, British J. Radiology, 69 (1996) 636-649
35. C. T. Chantler, E. N. Maslen, Charge Transfer and Three-Centre Bonding in
Monoprotonated and Diprotonated 2,2-Bipyridylium closo-Decaboron Hydride, Acta Cryst. B45 (1989), 290-297
14. J. L. Glover, C. T. Chantler, a. V. Soldatov, G. Smolentsev, M. C. Feiters,
"Theoretical XANES study of the activated Nickel (t-amylisocyanide) molecule," 625-627, CP882,
X-ray Absorption Fine Structure - XAFS13,
B. Hedman, P. Pianetta, eds (2007, AIP 978-0-7354-0384-0)
Several of our studies have provided the first absolute polarisation measurement at an EBIT;
and investigated key plasma processes and dynamics in highly ionized systems. Plasmas in astrophysical sources, aurorae, accelerators, EBITs and Tokamaks are of extreme interest in interpreting anomalies and dynamics, as well as long-term energy sources. A new EBIT proposal linked to a synchrotron offers the possibility of
direct inquiry into laboratory-controlled understanding of dynamic interactions in plasmas.
See e.g.
177. J Hoszowska, J Szlachetko, J-C Dousse, Blachucki, W, Kayser, Y, Milne, C, Pajek, M, Boutet, S, Messerschmidt, M, Williams, G, Chantler, CT,
X-ray two-photon absorption with high fluence XFEL pulses,
J Phys CS 635 (2015) 102009
106. C. T. Chantler, Charge and State Population in Dilute plasmas from Beam-Foil Spectroscopy,
Can. J. Phys. 86 (2008) 331-350
51. E. Takacs, E. S. Meyer, J. D. Gillaspy, J. R. Roberts, C. T. Chantler, L. T. Hudson, R. D. Deslattes, C. M. Brown, J. M. Laming, U. Feldman, J. Dubau, M. K. Inal,
Polarization measurements on a magnetic quadrupole line in Ne-like barium, Phys. Rev. A54 (1996) 1342-1350. [first absolute polarization studies performed on an EBIT]
41.C. T. Chantler, j.m. Laming, j.d. Silver, Beam-gas recoil spectra of highly ionised neon, NIM B73 (1993) 130-134
34. C. T. Chantler, J. D. Silver, X-ray spectra of recoil ions from fast beam interaction with Mg and MgF2
solid targets NIM B31 (1988) 59-69
Powder Diffraction, X-ray Diffraction and X-ray Crystallography:
Powder Diffraction is often required for structural determination of biologically
active molecules, viruses, proteins or enzymes as well as for small inorganic molecules, especially
where the samples cannot be grown into large crystals.
Standards for powder diffraction are well-known and widely used; though not frequently used
in local Australian research. These standards are dominated by pure silicon powder and lanthanum hexaboride
powder, which are the two principal lattice (and intensity) standards used in the world today.
These standards are maintained by NIST. They determine the lattice parameter of
an unknown sample under investigation and are a critical tool in determining
the synchrotron beam energy in an experiment.
Additionally, they monitor and can reveal several types of systematic errors in typical experiments.
In recent work using the X-ray Extended Range Technique (XERT) we have redetermined the
lattice spacing of the second standard (LaB6) compared to the primary standard (Si) and find several
standard deviations of discrepancy. This (i) proves that synchrotron techniques can be used to determine
such standards and (ii) is the most accurate determination of lattice spacing except for that of silicon
itself. This opens up the way for the implementation of new standards and methods of analysis.
See e.g.
116. C. T. Chantler, C. Q. Tran, Z. Barnea, X-ray Absorption Fine
Structure for Single Crystals, J. Appl. Cryst. 43 (2010) 64-69
101. C. T. Chantler, N. A. Rae, C. Q. Tran,
Accurate determination and correction of the lattice parameter of LaB6 (standard
reference material 660) relative to that of Si (640b), J. Appl. Cryst. 40 (2007) 232-240 [New technique for powder diffraction standards.]
95. N. A. Rae, C. T. Chantler, C. Q. Tran, Z. Barnea,
High-Precision Energy Determination of Synchrotron Radiation From Powder
Diffraction and Investigation of Profile Widths,
Radiation Physics & Chemistry 75 (2006) 2063-2066 [New technique for energy calibration.]
78.
C. T. Chantler C.Q. Tran, D. J. Cookson,
"Precise measurement of the lattice spacing of LaB6 standard powder by
the x-ray extended range technique using synchrotron radiation," Phys. Rev. A69 (2004) 042101-1 -11.
48. C. T. Chantler, R. D. Deslattes,
Systematic Corrections in Bragg X-ray Diffraction of Flat and Curved Crystals,
Rev.Sci.Inst. 66 (1995) 5123-5147. [invited review article, many new results
for X-ray diffraction theory]
37.C. T. Chantler, X-ray Diffraction of Bent Crystals in Bragg Geometry II:
Non-ideally Imperfect Crystals, Modelling and Results, J. Appl. Cryst. 25 (1992) 694-713
36.C. T. Chantler, X-ray Diffraction of Bent Crystals in Bragg Geometry I:
Perfect Crystal Modelling, J. Appl. Cryst. 25 (1992) 674-693
35. C. T. Chantler, E. N. Maslen, Charge Transfer and Three-Centre Bonding in
Monoprotonated and Diprotonated 2,2-Bipyridylium closo-Decaboron Hydride, Acta Cryst. B45 (1989), 290-297
Applications to Earth Sciences, Biology and Organometallics:
These issues impact upon X-ray diffraction theory. My diffraction theory is the first dynamical theory for non-ideally imperfect curved crystals
(and simpler subclasses) and shows significantly greater agreement for perfect curved crystal profiles than previous work.
The X-ray interaction with photographic emulsions is an interesting application of
ideas from basic physics.
Active areas of interest and development include ion chamber
optimisation, new detector technology, state-of-the-art spectrometry
and 2-dimensional (backgammon) proportional counters.
Applications of these ideas have led to new calibration devices for radiography and mammography, now patented in the US as part of the Quantum
Metrology Group effort in the Atomic Physics Division at the National Institute for Standards and Technology, USA.
See e.g.
193. R M Trevorah, N TT Tran, SP Best, D Appadoo, F Wang, CT Chantler,
Resolution of Ferrocene and Deuterated Ferrocene Conformations using Dynamic Vibrational Spectroscopy: Experiment and Theory.
Inorganica Chimica Acta 506 (2020) 119491 - 1-10
192. R M Trevorah, C T Chantler, M J Schalken,
New Features Observed in Self-Absorption Corrected X-ray Fluorescence Spectra with Uncertainties,
Journal of Physical Chemistry A124 (2019) 1634-1647
186. H A Melia, J W Dean, L F Smale, A J Illig, C T Chantler,
Count-rate, linearity, and performance of new backgammon detector technology
X-ray Spectroscopy 48 (2019) 218-231
185. V A Streltsov, R S K Ekanayake, S C Drew, C T Chantler, S P Best,
Structural Insight into Redox Dynamics of Copper Bound N-truncated Amyloid-beta Peptides from in situ X-ray Absorption Spectroscopy, Inorg Chem 57 (2018) 11422-11435.
ic-2018-01255s.R2 (2018). 8b01255
184. M J Schalken, C T Chantler,
Propagation of uncertainty in experiment: structures of Ni (II) coordination complexes.
J Synch Rad 25 (2018) 920-934
181. S P Best, F Wang, M T Islam, S Islam, D Appadoo, R Trevorah, CT Chantler,
Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene,
Chemistry - A European Journal, 22 (2016) 18019-18026. Cover
180. J. D. Bourke, M. T. Islam, S. P. Best, C. Q. Tran, F Wang, C. T. Chantler,
Conformational Analysis of Ferrocene and Decamethylferrocene via Full-Potential Modelling of XANES and XAFS Spectra,
Journal of Physical Chemistry Letters 7 (2016) 2792-2796
179. M. T. Islam, J. D. Bourke, S. P. Best, L. J. Tantau, C. Q. Tran, F Wang, C. T. Chantler,
X-ray Absorption Spectra of Ferrocene and Decamethyl Ferrocene: Absolute Accuracy Measurements and Structural Analysis of Dilute Systems,
Journal of Physical Chemistry C 120 (2016) 9399 - 9418
174. M. T. Islam, C. T. Chantler, L. J. Tantau, C. Q. Tran, M. H. Cheah, A. T. Payne, S. P. Best,
Structural investigation of mM Ni(II) complex isomers using transmission XAFS: the significance of model development
Journal of Synchrotron radiation 22 (2015) 1475-1491
172. C. T. Chantler, M. T. Islam, S. P. Best, L. J. Tantau, C. Q. Tran, M. H. Cheah, A. T. Payne,
High accuracy X-ray Absorption Spectra of mM solutions of nickel(II) complexes with multiple solutions using transmission XAS.
Journal of Synchrotron Radiation 22 (2015) 1008-1021
153. B. A. Sobott, Ch. Broennimann, B. Schmitt, P. Trueb, M. Schneebeli, V. Lee, D. J. Peake, S. Elbracht-Leong, A. Schubert, N. Kirby, M. J. Boland,
C. T. Chantler, Z. Barnea, R. P. Rassool,
Success and failure of dead-time models as applied to hybrid pixel detectors in high flux applications
J. Synch. Rad. 20 (2013) 347-354
144. N. Mohammadi, A. Ganesan, C. T. Chantler, F. Wang,
Differentiation of ferrocene D_5d and D_5h conformers using IR spectroscopy,
Journal of Organometallic Chemistry 713 (2012) 51-59
135.
Z. Barnea, C. T. Chantler, J. L. Glover, M. W. Grigg, M. T. Islam, M. D. de Jonge, N. A. Rae, C. Q. Tran,
Measuring the Linearity of X-ray Detectors: Consequences for Absolute Attenuation, Scattering and Absolute Bragg Intensities,
J. Appl. Cryst. 44(2011) 281-6
128. A. T. Payne, J. A. Kimpton, L. F. Smale, C .T. Chantler,
Optimisation of the spatial linearity in backgammon-type multi-wire gas proportional counters - the relevance of charge cloud distribution,
NIM A619 (2010) 190-197
73.
J. Lin, D. Paterson, A. G. Peele, P. J. McMahon, C. T. Chantler, K. A. Nugent,
B. Lai, N. Moldovan, Z. Cai, D. C. Mancini and I. McNulty,
"Measurement of the spatial coherence function of undulator radiation using a
phase mask," Physical Review Letters 90 (2003) 074801-1
72. A. G. Peele, C. T. Chantler, D. Paterson, P. J. McMahon, T. H. K. Irving,
J. J. A. Lin, K. A. Nugent, I. McNulty, A. N. Brunton,
"Measurement of Mass Absorption Coefficients in Air by Application of
Detector Linearity Tests," Phys. Rev. A66 (2002) 042702
68. D. Paterson, B. E. Allman, P. J. McMahon, J. Lin, N. Moldovan, K. A. Nugent, I. McNulty, C. T. Chantler, C. C. Retsch, T. H. K. Irving, D. C. Mancini,
"Spatial Coherence Measurement of X-ray Undulator Radiation," Opt. Commun. 195, (2001) 79-84
52. L. T. Hudson, R. D. Deslattes, a. Henins, C. T. Chantler, E. G. Kessler, J. E. Schweppe,
Curved Crystal Spectrometer for Energy Calibration and Spectral Characterization of Mammographic X-ray Sources,
Medical Physics 23 (1996) 1659-1670
50. C. T. Chantler, R. D. Deslattes, a. Henins, L. T. Hudson,
Flat and Curved Crystal Spectrography for Mammographic X-ray Sources,
British J. Radiology, 69 (1996) 636-649
35. C. T. Chantler, E. N. Maslen, Charge Transfer and Three-Centre Bonding in
Monoprotonated and Diprotonated 2,2-Bipyridylium closo-Decaboron Hydride,
Acta Cryst. B45 (1989), 290-297
14. J. L. Glover, C. T. Chantler, a. V. Soldatov, G. Smolentsev, M. C. Feiters,
"Theoretical XANES study of the activated Nickel (t-amylisocyanide) molecule," 625-627, CP882,
X-ray Absorption Fine Structure - XAFS13,
B. Hedman, P. Pianetta, eds (2007, AIP 978-0-7354-0384-0)
Chris. Chantler, chantler@unimelb.edu.au
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