CHEMISORPTION OF CL ON GAAS - A DENSITY FUNCTIONAL-LCAO APPROACH

被引：4

作者：

RINCON, R

GARCIAVIDAL, FJ

FLORES, F

机构：

[1] Departamento de Física de la Materia Condensada C-XII, Facultad de Ciencias, Universidad Autónoma de Madrid

来源：

SURFACE SCIENCE | 1995年 / 330卷 / 03期

关键词：

CHEMISORPTION; CHLORINE; GALLIUM ARSENIDE; MODELS OF SURFACE CHEMICAL REACTIONS; SINGLE CRYSTAL SURFACES;

D O I：

10.1016/0039-6028(95)00402-5

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：

A linear combination of atomic orbitals method supplemented by a local density approximation is applied to the calculation of Cl adsorbed on GaAs(110). We present results for coverages of 1/2 and 1 monolayer. Our results show that Cl in the early stages of deposition tends to adsorb on Ga, although the deposition of Cl-pairs on Ga and As nearest neighbours is very likely. We also find that the majority deposition of Cl on Ga tends to pin the interface Fermi level in the As-like dangling bond, near the valence band top, These results are in good agreement with the available experimental data.

引用

页码：297 / 312

页数：16

共 22 条

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Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[2] THE INTERACTION OF ATOMS WITH SEMICONDUCTOR SURFACES - THE CASE OF SB ON GAAS (110) [J].