Many-pole model of inelastic losses in x-ray absorption spectra
作者： J. J. Kas , A. P. Sorini , M. P. Prange , L. W. Cambell , J. A. Soininen
DOI: 10.1103/PHYSREVB.76.195116
关键词: Amplitude 、 Excitation 、 Inelastic mean free path 、 GW approximation 、 Physics 、 Inelastic scattering 、 Atomic physics 、 Scattering 、 Quasiparticle 、 Inelastic neutron scattering
摘要: Inelastic losses are crucial to a quantitative analysis of x-ray absorption spectra. However, current treatments semi-phenomenological in nature. Here first-principles, many-pole generalization the plasmon-pole model is developed for improved calculations inelastic losses. The method based on GW approximation self-energy and real space multiple scattering dielectric function given system. retains efficiency plasmonpole applicable both periodic aperiodic materials over wide energy range. same applied extended quasiparticle spectral function. This yields estimates multi-electron excitation effects, e.g., many-body amplitude factor S 2 0 due intrinsic Illustrative compared with other self-energy, mean free path, experimental
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Lars Hedin, Stig Lundqvist, Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids Solid State Physics. ,vol. 23, pp. 1- 181 ,(1970) , 10.1016/S0081-1947(08)60615-3
Wilfried G. Aulbur, Lars Jönsson, John W. Wilkins, Quasiparticle calculations in solids Journal of Physics C: Solid State Physics. ,vol. 54, pp. 1- 218 ,(2000) , 10.1016/S0081-1947(08)60248-9
A. P. Sorini, J. J. Kas, J. J. Rehr, M. P. Prange, Z. H. Levine, Ab initio calculations of electron inelastic mean free paths and stopping powers Physical Review B. ,vol. 74, pp. 165111- ,(2006) , 10.1103/PHYSREVB.74.165111
J.J. Rehr, Theory and calculations of X-ray spectra: XAS, XES, XRS, and NRIXS Radiation Physics and Chemistry. ,vol. 75, pp. 1547- 1558 ,(2006) , 10.1016/J.RADPHYSCHEM.2005.11.014
Zachary H. Levine, Steven G. Louie, New model dielectric function and exchange-correlation potential for semiconductors and insulators Physical Review B. ,vol. 25, pp. 6310- 6316 ,(1982) , 10.1103/PHYSREVB.25.6310
J.J. Rehr, A.L. Ankudinov, Progress in the theory and interpretation of XANES Coordination Chemistry Reviews. ,vol. 249, pp. 131- 140 ,(2005) , 10.1016/J.CCR.2004.02.014
J A Soininen, J J Rehr, Eric L Shirley, Electron Self-Energy Calculation Using a General Multi-Pole Approximation Journal of Physics: Condensed Matter. ,vol. 15, pp. 2573- 2586 ,(2003) , 10.1088/0953-8984/15/17/312
Y. Joly, X-ray absorption near-edge structure calculations beyond the muffin-tin approximation Physical Review B. ,vol. 63, pp. 125120- ,(2001) , 10.1103/PHYSREVB.63.125120
A. L. Ankudinov, J. J. Rehr, Non-Local Self-Energy Models for XAS Journal De Physique Iv. ,vol. 7, ,(1997) , 10.1051/JP4/1997099
Lars Hedin, Extrinsic and intrinsic processes in EXAFS Physica B: Condensed Matter. ,vol. 158, pp. 344- 346 ,(1989) , 10.1016/0921-4526(89)90307-4