THEORETICAL-STUDY OF SIH3-DEFECT STABILITY AND FORMATION ON THE H-SATURATED SI(100)1X1 SURFACE

被引：31

作者：

VITTADINI, A

SELLONI, A

CAR, R

CASARIN, M

机构：

[1] SCUOLA INT SUPER STUDI AVANZATI,I-34014 TRIESTE,ITALY

[2] DEPT PHYS CHEM,CH-1211 GENEVA,SWITZERLAND

[3] IRRMA,PHB ECUBLENS,CH-1015 LAUSANNE,SWITZERLAND

[4] DEPT CONDENSED MATTER PHYS,CH-1211 GENEVA,SWITZERLAND

[5] DIPARTIMENTO CHIM INORGAN MET ORGAN & ANALIT,I-35131 PADUA,ITALY

来源：

PHYSICAL REVIEW B | 1992年 / 46卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.46.4348

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present first-principles calculations for the initial stages of etching of Si(100) by H atoms. We find that adsorbed SiH3 species [SiH3(a)] on the H-saturated Si(100)1 x 1 surface have a negative formation energy. Our results also indicate that the Si-Si backbond breaking which gives rise to the formation of these SiH3 (a) defects is possibly promoted by a bonding state between atomic hydrogen and silicon atoms in the second layer.

引用

页码：4348 / 4351

页数：4

共 17 条

[1] THEORY OF VACANCY-STABILIZED (SQUARE-ROOT-3 X SQUARE-ROOT-3) DISPLACIVE RECONSTRUCTION OF THE CLEAN SI(111) SURFACE [J].