Using photoelectron spectroscopy to measure resonant inelastic X-ray scattering: a computational investigation

Higley, Daniel J.; Ogasawara, Hirohito; Zohar, Sioan; Dakovski, Georgi L.

doi:10.1107/s1600577521011917

Title: Using photoelectron spectroscopy to measure resonant inelastic X-ray scattering: a computational investigation

Journal Article · 31 December 2021 · Journal of Synchrotron Radiation (Online)

DOI: https://doi.org/10.1107/s1600577521011917 · OSTI ID:1862406

Higley, Daniel J. ^[1]; Ogasawara, Hirohito ^[1]; Zohar, Sioan ^[1]; Dakovski, Georgi L. ^[1]

SLAC National Accelerator Lab., Menlo Park, CA (United States)

Resonant inelastic X-ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high-resolution (few hundred meV or less) RIXS measurements, especially in the soft X-ray range, require low-throughput grating spectrometers, which limits measurement accuracy. Here, the performance of a different method for measuring RIXS, i.e. photoelectron spectrometry for analysis of X-rays (PAX), is computationally investigated. This method transforms the X-ray measurement problem of RIXS to an electron measurement problem, enabling use of high-throughput, compact electron spectrometers. X-rays to be measured are incident on a converter material and the energy distribution of the resultant photoelectrons, the PAX spectrum, is measured with an electron spectrometer. A deconvolution algorithm for analysis of such PAX data is proposed. It is shown that the deconvolution algorithm works well on data recorded with ~0.5 eV resolution. Additional simulations show the potential of PAX for estimation of RIXS features with smaller widths. For simulations using the 3d levels of Ag as a converter material, and with 10⁵ simulated detected electrons, it is estimated that features with a few hundred meV width can be accurately estimated in a model RIXS spectrum. For simulations using a sharp Fermi edge to encode RIXS spectra, it is estimated that one can accurately distinguish 100 meV FWHM peaks separated by 45 meV with 10⁵ simulated detected electrons that were photoemitted from within 0.4 eV of the Fermi level.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1862406

Journal Information:: Journal of Synchrotron Radiation (Online), Journal Name: Journal of Synchrotron Radiation (Online) Journal Issue: 1 Vol. 29; ISSN 1600-5775

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

References (47)

Generalized cross-validation as a stopping rule for the Richardson-Lucy algorithm Reeves, Stanley J. International Journal of Imaging Systems and Technology, Vol. 6, Issue 4 https://doi.org/10.1002/ima.1850060412	journal	January 1995
Richardson–Lucy algorithm with total variation regularization for 3D confocal microscope deconvolution Dey, Nicolas; Blanc-Feraud, Laure; Zimmer, Christophe Microscopy Research and Technique, Vol. 69, Issue 4 https://doi.org/10.1002/jemt.20294	journal	January 2006
Calculations of electron inelastic mean free paths. X. Data for 41 elemental solids over the 50 eV to 200 keV range with the relativistic full Penn algorithm: Calculations of electron inelastic mean free paths. X Shinotsuka, H.; Tanuma, S.; Powell, C. J. Surface and Interface Analysis, Vol. 47, Issue 9 https://doi.org/10.1002/sia.5789	journal	July 2015
On the use of an electron spectrometer as detector for soft X-ray spectra Ebel, Maria F. X-Ray Spectrometry, Vol. 4, Issue 1 https://doi.org/10.1002/xrs.1300040110	journal	January 1975
An Introduction to Statistical Learning James, Gareth; Witten, Daniela; Hastie, Trevor Springer Texts in Statistics https://doi.org/10.1007/978-1-4614-7138-7	book	January 2013
Atomic subshell photoionization cross sections and asymmetry parameters: 1 ⩽ Z ⩽ 103 Yeh, J. J.; Lindau, I. Atomic Data and Nuclear Data Tables, Vol. 32, Issue 1 https://doi.org/10.1016/0092-640X(85)90016-6	journal	January 1985
A very high resolution electron spectrometer Mårtensson, N.; Baltzer, P.; Brühwiler, P. A. Journal of Electron Spectroscopy and Related Phenomena, Vol. 70, Issue 2 https://doi.org/10.1016/0368-2048(94)02224-N	journal	December 1994
Deconvolution of the XPS-valence band spectrum of gold Ebel, H.; Gurker, N. Physics Letters A, Vol. 50, Issue 6 https://doi.org/10.1016/0375-9601(75)90121-8	journal	January 1975
A cross-validation framework for solving image restoration problems Reeves, Stanley J. Journal of Visual Communication and Image Representation, Vol. 3, Issue 4 https://doi.org/10.1016/1047-3203(92)90044-T	journal	December 1992
Magnetic excitations of layered cuprates studied by RIXS at Cu L3 edge Ghiringhelli, G.; Braicovich, L. Journal of Electron Spectroscopy and Related Phenomena, Vol. 188 https://doi.org/10.1016/j.elspec.2012.11.001	journal	June 2013
Development of hard X-ray photoelectron spectroscopy at BL29XU in SPring-8 Takata, Y.; Yabashi, M.; Tamasaku, K. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 547, Issue 1 https://doi.org/10.1016/j.nima.2005.05.011	journal	July 2005
The beamline ID32 at the ESRF for soft X-ray high energy resolution resonant inelastic X-ray scattering and polarisation dependent X-ray absorption spectroscopy Brookes, N. B.; Yakhou-Harris, F.; Kummer, K. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 903 https://doi.org/10.1016/j.nima.2018.07.001	journal	September 2018
In-Situ 2p3d Resonant Inelastic X-ray Scattering Tracking Cobalt Nanoparticle Reduction Liu, Boyang; van Schooneveld, Matti M.; Cui, Yi-Tao The Journal of Physical Chemistry C, Vol. 121, Issue 32 https://doi.org/10.1021/acs.jpcc.7b04325	journal	August 2017
Electronic Structure of CoO Nanocrystals and a Single Crystal Probed by Resonant X-ray Emission Spectroscopy van Schooneveld, Matti M.; Kurian, Reshmi; Juhin, Amélie The Journal of Physical Chemistry C, Vol. 116, Issue 29 https://doi.org/10.1021/jp302847h	journal	July 2012
Spin–orbital separation in the quasi-one-dimensional Mott insulator Sr2CuO3 Schlappa, J.; Wohlfeld, K.; Zhou, K. J. Nature, Vol. 485, Issue 7396 https://doi.org/10.1038/nature10974	journal	April 2012
Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution Wernet, Ph.; Kunnus, K.; Josefsson, I. Nature, Vol. 520, Issue 7545 https://doi.org/10.1038/nature14296	journal	April 2015
Intense paramagnon excitations in a large family of high-temperature superconductors Le Tacon, M.; Ghiringhelli, G.; Chaloupka, J. Nature Physics, Vol. 7, Issue 9 https://doi.org/10.1038/nphys2041	journal	July 2011
Dispersive charge density wave excitations in Bi2Sr2CaCu2O8+δ Chaix, L.; Ghiringhelli, G.; Peng, Y. Y. Nature Physics, Vol. 13, Issue 10 https://doi.org/10.1038/nphys4157	journal	June 2017
Monovalent manganese based anodes and co-solvent electrolyte for stable low-cost high-rate sodium-ion batteries Firouzi, Ali; Qiao, Ruimin; Motallebi, Shahrokh Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03257-1	journal	February 2018
Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes House, Robert A.; Maitra, Urmimala; Pérez-Osorio, Miguel A. Nature, Vol. 577, Issue 7791 https://doi.org/10.1038/s41586-019-1854-3	journal	December 2019
Transmission zone plates as analyzers for efficient parallel 2D RIXS-mapping Marschall, Felix; Yin, Zhong; Rehanek, Jens Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-09052-0	journal	August 2017
A convex 3D deconvolution algorithm for low photon count fluorescence imaging Ikoma, Hayato; Broxton, Michael; Kudo, Takamasa Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-29768-x	journal	July 2018
Towards 10 meV resolution: The design of an ultrahigh resolution soft X-ray RIXS spectrometer Dvorak, Joseph; Jarrige, Ignace; Bisogni, Valentina Review of Scientific Instruments, Vol. 87, Issue 11 https://doi.org/10.1063/1.4964847	journal	November 2016
High-efficiency in situ resonant inelastic x-ray scattering (iRIXS) endstation at the Advanced Light Source Qiao, Ruimin; Li, Qinghao; Zhuo, Zengqing Review of Scientific Instruments, Vol. 88, Issue 3 https://doi.org/10.1063/1.4977592	journal	March 2017
Advances in liquid phase soft-x-ray photoemission spectroscopy: A new experimental setup at BESSY II Seidel, Robert; Pohl, Marvin N.; Ali, Hebatallah Review of Scientific Instruments, Vol. 88, Issue 7 https://doi.org/10.1063/1.4990797	journal	July 2017
When is the optimal regularization parameter insensitive to the choice of the loss function? Wahba, Grace; Wang, Yonghua Communications in Statistics - Theory and Methods, Vol. 19, Issue 5 https://doi.org/10.1080/03610929008830285	journal	January 1990
An iterative technique for the rectification of observed distributions Lucy, L. B. The Astronomical Journal, Vol. 79 https://doi.org/10.1086/111605	journal	June 1974
Deconvolution in Astronomy: A Review Starck, J. L.; Pantin, E.; Murtagh, F. Publications of the Astronomical Society of the Pacific, Vol. 114, Issue 800 https://doi.org/10.1086/342606	journal	October 2002
Image deblurring with Poisson data: from cells to galaxies Bertero, M.; Boccacci, P.; Desiderà, G. Inverse Problems, Vol. 25, Issue 12 https://doi.org/10.1088/0266-5611/25/12/123006	journal	November 2009
High-energy photoemission in silver: resolving d and sp contributions in valence band spectra Panaccione, G.; Cautero, G.; Cautero, M. Journal of Physics: Condensed Matter, Vol. 17, Issue 17 https://doi.org/10.1088/0953-8984/17/17/015	journal	April 2005
Determination of L Binding Energies of Krypton by the Photoelectron Method Krause, Manfred O. Physical Review, Vol. 140, Issue 6A https://doi.org/10.1103/PhysRev.140.A1845	journal	December 1965
Ultrasoft-X-Ray Reflection, Refraction, and Production of Photoelectrons (100-1000-eV Region) Henke, Burton L. Physical Review A, Vol. 6, Issue 1 https://doi.org/10.1103/PhysRevA.6.94	journal	July 1972
Experimental and theoretical surface core-level shifts of aluminum (100) and (111) Borg, Mikael; Birgersson, Martin; Smedh, Maria Physical Review B, Vol. 69, Issue 23 https://doi.org/10.1103/PhysRevB.69.235418	journal	June 2004
Deconvolving instrumental and intrinsic broadening in core-shell x-ray spectroscopies Fister, T. T.; Seidler, G. T.; Rehr, J. J. Physical Review B, Vol. 75, Issue 17 https://doi.org/10.1103/PhysRevB.75.174106	journal	May 2007
Maximum entropy deconvolution of resonant inelastic x-ray scattering spectra Laverock, J.; Preston, A. R. H.; Newby, D. Physical Review B, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevB.84.235111	journal	December 2011
Probing substrate effects in the carbon-projected band structure of graphene on Pt(111) through resonant inelastic x-ray scattering Rajasekaran, Srivats; Kaya, Sarp; Anniyev, Toyli Physical Review B, Vol. 85, Issue 4 https://doi.org/10.1103/PhysRevB.85.045419	journal	January 2012
Resonant Inelastic Scattering Spectra of Free Molecules with Vibrational Resolution Hennies, Franz; Pietzsch, Annette; Berglund, Martin Physical Review Letters, Vol. 104, Issue 19 https://doi.org/10.1103/PhysRevLett.104.193002	journal	May 2010
Enhanced vibrational broadening of core-level photoemission from the surface of Na(110) Riffe, D. M.; Wertheim, G. K.; Citrin, P. H. Physical Review Letters, Vol. 67, Issue 1 https://doi.org/10.1103/PhysRevLett.67.116	journal	July 1991
Angle-resolved photoemission studies of the cuprate superconductors Damascelli, Andrea; Hussain, Zahid; Shen, Zhi-Xun Reviews of Modern Physics, Vol. 75, Issue 2 https://doi.org/10.1103/RevModPhys.75.473	journal	April 2003
Resonant inelastic x-ray scattering studies of elementary excitations Ament, Luuk J. P.; van Veenendaal, Michel; Devereaux, Thomas P. Reviews of Modern Physics, Vol. 83, Issue 2 https://doi.org/10.1103/RevModPhys.83.705	journal	June 2011
High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies Strocov, V. N.; Schmitt, T.; Flechsig, U. Journal of Synchrotron Radiation, Vol. 17, Issue 5 https://doi.org/10.1107/S0909049510019862	journal	July 2010
High-resolution X-ray emission spectroscopy with transition-edge sensors: present performance and future potential Uhlig, J.; Doriese, W. B.; Fowler, J. W. Journal of Synchrotron Radiation, Vol. 22, Issue 3 https://doi.org/10.1107/S1600577515004312	journal	April 2015
A novel method for resonant inelastic soft X-ray scattering via photoelectron spectroscopy detection Dakovski, Georgi L.; Lin, Ming-Fu; Damiani, Daniel S. Journal of Synchrotron Radiation, Vol. 24, Issue 6 https://doi.org/10.1107/S1600577517011869	journal	October 2017
Maximum Likelihood Reconstruction for Emission Tomography Shepp, L. A.; Vardi, Y. IEEE Transactions on Medical Imaging, Vol. 1, Issue 2 https://doi.org/10.1109/TMI.1982.4307558	journal	October 1982
Image restoration using the damped Richardson-Lucy method White, Richard L. 1994 Symposium on Astronomical Telescopes & Instrumentation for the 21st Century, SPIE Proceedings https://doi.org/10.1117/12.176819	conference	June 1994
Bayesian-Based Iterative Method of Image Restoration* Richardson, William Hadley Journal of the Optical Society of America, Vol. 62, Issue 1 https://doi.org/10.1364/JOSA.62.000055	journal	January 1972
Experimental Determinations of Electron Inelastic Mean Free Paths in Silver, Gold, Copper and Silicon from Electron Elastic Peak Intensity Ratios Tanuma, S.; Ichimura, S.; Goto, K. Journal of Surface Analysis, Vol. 9, Issue 3 https://doi.org/10.1384/jsa.9.285	journal	January 2002

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73 NUCLEAR PHYSICS AND RADIATION PHYSICS
X-ray spectroscopy.
data analysis
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photoelectron spectroscopy
resonant inelastic X-ray scattering

Title: Using photoelectron spectroscopy to measure resonant inelastic X-ray scattering: a computational investigation

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