STRUCTURE, ELECTRONIC-PROPERTIES, AND DEFECTS OF AMORPHOUS GALLIUM-ARSENIDE

被引：39

作者：

FOIS, E

SELLONI, A

PASTORE, G

ZHANG, QM

CAR, R

机构：

[1] UNIV MILANO,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILAN,ITALY

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

[3] UNIV FRIBOURG,INST THEORET PHYS,CH-1700 FRIBOURG,SWITZERLAND

[4] UNIV TRIESTE,DIPARTIMENTO FIS TEOR,I-34014 TRIESTE,ITALY

[5] N CAROLINA STATE UNIV,DEPT PHYS,RALEIGH,NC 27695

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

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

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.45.13378

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have constructed a structural model of amorphous gallium arsenide by quenching from the melt, via first-principles molecular-dynamics simulations. The properties of our structure agree well with the available experimental information. We find that the predominant defects in this system are not wrong bonds, but threefold-coordinated atoms. Because of a relaxation mechanism similar to that occurring on the GaAs(110) surface, these do not yield states in the gap, but yield empty Ga and filled As dangling-bond states near the band edges.

引用

页码：13378 / 13382

页数：5

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