Bethe-Salpeter treatment of X-ray absorption including core-hole multiplet effects

被引:49
作者
Shirley, EL [1 ]
机构
[1] NIST, Opt Technol Div, Gaithersburg, MD 20899 USA
关键词
Bethe-Salpeter; calcium fluoride; multiplet; rutile; SrTiO3; X-ray absorption;
D O I
10.1016/j.elspec.2005.01.191
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
We present a method to include multiplet effects and band structure effects simultaneously in an X-ray absorption spectrum. Theoretical results are presented and compared to experiment for the Ca 2p edge in calcium fluoride and the Ti 2p edge in rutile and strontium titanate. Published by Elsevier B.V.
引用
收藏
页码:1187 / 1190
页数:4
相关论文
共 14 条
[1]   Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure [J].
Ankudinov, AL ;
Ravel, B ;
Rehr, JJ ;
Conradson, SD .
PHYSICAL REVIEW B, 1998, 58 (12) :7565-7576
[2]   COMPARISON BETWEEN BIS AND TI K-XAS FOR TIO2 - EXPERIMENTAL AND THEORETICAL-STUDY [J].
BEAUREPAIRE, E ;
LEWONCZUK, S ;
RINGEISSEN, J ;
PARLEBAS, JC ;
UOZUMI, T ;
OKADA, K ;
KOTANI, A .
EUROPHYSICS LETTERS, 1993, 22 (06) :463-467
[3]   ANGULAR-DEPENDENCE OF X-RAY ABSORPTION-SPECTRA [J].
BROUDER, C .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1990, 2 (03) :701-738
[4]   ELECTRON-ENERGY LOSS AND X-RAY ABSORPTION-SPECTROSCOPY OF RUTILE AND ANATASE - A TEST OF STRUCTURAL SENSITIVITY [J].
BRYDSON, R ;
SAUER, H ;
ENGEL, W ;
THOMAS, JM ;
ZEITLER, E ;
KOSUGI, N ;
KURODA, H .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (04) :797-812
[5]   Intrinsic birefringence in calcium fluoride and barium fluoride [J].
Burnett, JH ;
Levine, ZH ;
Shirley, EL .
PHYSICAL REVIEW B, 2001, 64 (24)
[6]   Ab initio calculation of KLV Auger spectra in Si -: art. no. 035106 [J].
Chang, EK ;
Shirley, EL .
PHYSICAL REVIEW B, 2002, 66 (03) :351061-351066
[7]   L2,3 X-RAY-ABSORPTION EDGES OF D0 COMPOUNDS - K+, CA-2+, SC-3+ AND TI-4+ IN OH (OCTAHEDRAL) SYMMETRY [J].
DEGROOT, FMF ;
FUGGLE, JC ;
THOLE, BT ;
SAWATZKY, GA .
PHYSICAL REVIEW B, 1990, 41 (02) :928-937
[8]   ELECTRONIC-STRUCTURE AND CORE LEVEL PHOTOEMISSION SPECTRA IN TIO2 COMPOUNDS [J].
KHAN, MA ;
KOTANI, A ;
PARLEBAS, JC .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (12) :1763-1772
[9]   Electronic excitations: density-functional versus many-body Green's-function approaches [J].
Onida, G ;
Reining, L ;
Rubio, A .
REVIEWS OF MODERN PHYSICS, 2002, 74 (02) :601-659
[10]   Ti ls pre-edge features in rutile: a Bethe-Salpeter calculation [J].
Shirley, EL .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2004, 136 (1-2) :77-83