Atomic and electronic structures of Te adsorbed on GaAs(100) and InAs(100)

被引：8
|
作者：
Ferraz, AC
daSilva, RC
机构：
[1] Instituto de Física, Universidade de São Paulo, 05389-970 São Paulo, SP
来源：
SURFACE SCIENCE | 1996年 / 352卷
关键词：
density functional calculations; gallium arsenide; indium arsenide; tellurium;
D O I：
10.1016/0039-6028(95)01164-1
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report results of density functional theory total energy and force calculations of Te covered GaAs- and InAs(100)-(2 X 1). The adsorption is studied for the coverages of 1/2 and 1 monolayer of Te. The atomic positions of the adsorbate and the three outermost substrate layers are fully relaxed and the equilibrium surface geometries are given. We discuss how the adsorption modifies the dean surface geometry and the electronic structures.
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收藏
页码：379 / 382
页数：4
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