Ab-initio calculation of Si-K and Si-L ELVES edges in an extended inactive defect model of crystalline silicon

被引：11

作者：

Chen, Y

Mo, SD

Kohyama, M

Kohno, H

Takeda, S

Ching, WY ^{[1
]}

机构：

[1] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA

[2] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan

[3] Natl Inst Adv Ind Sci & Technol, Div Green Life Technol, Interface Sci Res Grp, Ikeda, Osaka 5638577, Japan

来源：

MATERIALS TRANSACTIONS | 2002年 / 43卷 / 07期

关键词：

electron energy-loss near edge spectroscopy; ab-initio calculations; core-hole-electron interaction; silicon defect model; grain boundary; interface; supercell;

D O I：

10.2320/matertrans.43.1430

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The Si-K and Si-L-2,L-3 edges of the electron energy-loss near-edge (ELVES) spectra of a model of an extended inactive defect in Si with no dangling bonds were calculated using an ab-initio method which includes the electron-hole interaction. In this method, atom-by-atom excitation is possible. The calculated results are discussed in the context of the subtle structural differences in the local atomic environment. Comparison of the results with measured data shows satisfactory agreement. The method can be applied to other more complicated defective systems such as grain boundaries and interfaces for effective materials characterization.

引用

页码：1430 / 1434

页数：5

共 21 条

[1] THEORETICAL-STUDIES OF THE ELECTRONIC-PROPERTIES OF CERAMIC MATERIALS [J].