A theoretical investigation on the chemical bonding of interstitial and vacancy defects in silicon during their migration

被引:4
|
作者
Cargnoni, F
Colombo, L
Gatti, C
机构
[1] UNIV MILAN,DIPARTIMENTO FIS,I-20113 MILAN,ITALY
[2] INFM,I-20113 MILAN,ITALY
[3] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILAN,ITALY
[4] CNR,CTR STUDIO RELAZ STRUTTURA & REATT CHIM,I-20133 MILAN,ITALY
关键词
D O I
10.1016/S0168-583X(96)00890-7
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
By combining tight-binding molecular dynamics and restricted Hartree-Fock calculations we present a quantitative picture for chemical bond in silicon when point defects are present.
引用
收藏
页码:235 / 238
页数:4
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