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Title: Numerical Method for Inverting 1s2p Resonant Inelastic X-ray Scattering Spectra: Interpretation of Hidden Electronic Excitations in CuO

Abstract

Direct inversion of resonant inelastic x-ray scattering spectra (RIXSS) has been carried out using a numerical method for solving first-kind Fredholm integral equations. Hereby, the oscillator strength distribution (OSD), which is proportional to the empty density of states at the absorption edge, has been obtained from the experimental Cu 1s2p RIXSS of CuO. In particular, the inversion of RIXSS measured at incident energies below the K level threshold provides OSD having a better resolution than it can be achieved with one of the customary x-ray absorption near-edge structure spectroscopies. This can be explained by the virtual character of the intermediate states at low energy excitation. By means of the presented method a so-called 'hidden electronic excitation' of CuO has been identified as a very weak core excitation. Furthermore, numerical interpretation of polarized spectra has revealed the py-like character of the excited states in a suitable local reference frame. The obtained results are promising for further applications of the method, preferred in the field of strongly correlated materials.

Authors:
;
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
980372
Report Number(s):
BNL-93290-2010-JA
Journal ID: ISSN 1098-0121; TRN: US201015%%1757
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 79; Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ABSORPTION; ACCIDENTS; DENSITY; DISTRIBUTION; ENERGY; EXCITATION; EXCITED STATES; INTEGRAL EQUATIONS; INTERMEDIATE STATE; LEVELS; MATERIALS; OSCILLATOR STRENGTHS; RESOLUTION; SCATTERING; SPECTRA; USES; national synchrotron light source

Citation Formats

Dräger, G, and Machek, P. Numerical Method for Inverting 1s2p Resonant Inelastic X-ray Scattering Spectra: Interpretation of Hidden Electronic Excitations in CuO. United States: N. p., 2009. Web. doi:10.1103/PhysRevB.79.033103.
Dräger, G, & Machek, P. Numerical Method for Inverting 1s2p Resonant Inelastic X-ray Scattering Spectra: Interpretation of Hidden Electronic Excitations in CuO. United States. https://doi.org/10.1103/PhysRevB.79.033103
Dräger, G, and Machek, P. 2009. "Numerical Method for Inverting 1s2p Resonant Inelastic X-ray Scattering Spectra: Interpretation of Hidden Electronic Excitations in CuO". United States. https://doi.org/10.1103/PhysRevB.79.033103.
@article{osti_980372,
title = {Numerical Method for Inverting 1s2p Resonant Inelastic X-ray Scattering Spectra: Interpretation of Hidden Electronic Excitations in CuO},
author = {Dräger, G and Machek, P},
abstractNote = {Direct inversion of resonant inelastic x-ray scattering spectra (RIXSS) has been carried out using a numerical method for solving first-kind Fredholm integral equations. Hereby, the oscillator strength distribution (OSD), which is proportional to the empty density of states at the absorption edge, has been obtained from the experimental Cu 1s2p RIXSS of CuO. In particular, the inversion of RIXSS measured at incident energies below the K level threshold provides OSD having a better resolution than it can be achieved with one of the customary x-ray absorption near-edge structure spectroscopies. This can be explained by the virtual character of the intermediate states at low energy excitation. By means of the presented method a so-called 'hidden electronic excitation' of CuO has been identified as a very weak core excitation. Furthermore, numerical interpretation of polarized spectra has revealed the py-like character of the excited states in a suitable local reference frame. The obtained results are promising for further applications of the method, preferred in the field of strongly correlated materials.},
doi = {10.1103/PhysRevB.79.033103},
url = {https://www.osti.gov/biblio/980372}, journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = ,
volume = 79,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2009},
month = {Thu Jan 01 00:00:00 EST 2009}
}