Core-hole effects on energy-loss near-edge structure

被引:59
作者
Duscher, G [1 ]
Buczko, R
Pennycook, SJ
Pantelides, ST
机构
[1] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA
[2] Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN USA
基金
美国国家科学基金会;
关键词
electronic structure calculations; core-hole; ELNES; EELS;
D O I
10.1016/S0304-3991(00)00126-1
中图分类号
TH742 [显微镜];
学科分类号
摘要
We present first-principles electron energy-loss near-edge structure calculations that incorporate electron-hole interactions and are in excellent agreement with experimental data obtained with X-ray absorption spectroscopy (XAS) and electron energy-loss spectroscopy (EELS). The superior energy resolution in XAS spectra and the new calculations make a compelling case that core-hole effects dominate core-excitation edges of the materials investigated: Si, SiO2, MgO, and SIG. These materials differ widely in the dielectric constant leading to the conclusion that core-hole effects dominate all core-electron excitation spectra in semiconductors and insulators. The implications of the importance of core-holes for simulations of core-electron excitation spectra at interfaces will be discussed. (C), 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:355 / 362
页数:8
相关论文
共 24 条
[1]   CORE EXCITONS AND SOFT-X-RAY THRESHOLD OF SILICON [J].
ALTARELL.M ;
DEXTER, DL .
PHYSICAL REVIEW LETTERS, 1972, 29 (16) :1100-&
[2]  
BLAHA P, 1999, FULL POTENTIAL LINEA
[3]   EXTREME ULTRAVIOLET TRANSMISSION OF CRYSTALLINE AND AMORPHOUS SILICON [J].
BROWN, FC ;
RUSTGI, OP .
PHYSICAL REVIEW LETTERS, 1972, 28 (08) :497-&
[4]   SOFT X-RAY SPECTRA OF LITHIUM HALIDES AND THEIR INTERPRETATION [J].
BROWN, FC ;
GAHWILLE.C ;
KUNZ, AB ;
LIPARI, NO .
PHYSICAL REVIEW LETTERS, 1970, 25 (14) :927-&
[5]   MODELING THE BONDING AT METAL-CERAMIC INTERFACES USING PEELS IN THE STEM [J].
BRYDSON, R ;
BRULEY, J ;
MULLEJANS, H ;
SCHEU, C ;
RUHLE, M .
ULTRAMICROSCOPY, 1995, 59 (1-4) :81-92
[6]   Excitonic effects in core-excitation spectra of semiconductors [J].
Buczko, R ;
Duscher, G ;
Pennycook, SJ ;
Pantelides, ST .
PHYSICAL REVIEW LETTERS, 2000, 85 (10) :2168-2171
[7]  
BUCZKO R, 2000, UNPUB APPL PHYS LETT
[8]  
Egerton R. F, 1996, ELECT ENERGY LOSS SP
[9]   Bonding in alpha-quartz (SiO2):: A view of the unoccupied states [J].
Garvie, LAJ ;
Rez, P ;
Alvarez, JR ;
Buseck, PR ;
Craven, AJ ;
Brydson, R .
AMERICAN MINERALOGIST, 2000, 85 (5-6) :732-738
[10]   MICROSCOPIC STRUCTURE OF THE SIO2/SI INTERFACE [J].
HIMPSEL, FJ ;
MCFEELY, FR ;
TALEBIBRAHIMI, A ;
YARMOFF, JA ;
HOLLINGER, G .
PHYSICAL REVIEW B, 1988, 38 (09) :6084-6096