Adsorption of Fe on GaAs (100) surface

被引：0

作者：

Wei, SY ^{[1
]}

Ma, L ^{[1
]}

Wang, JG ^{[1
]}

Wang, TX ^{[1
]}

机构：

[1] Henan Normal Univ, Coll Phys & Informat Engn, Xinxiang 453002, Peoples R China

来源：

COMMUNICATIONS IN THEORETICAL PHYSICS | 2003年 / 39卷 / 04期

关键词：

chemisorption; supercell; interaction; low index single crystal surfaces;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The adsorption of one monolayer Fe atoms on an ideal GaAs (100) surface is studied by using the self-consistent tight-binding linear muffin-tin orbital method. The Fe adatom chemisorption on Ga- and As-terminated surface are considered separately. A monolayer of S atoms is used to saturate the dangling bonds on one of the supercell surfaces. Energies of adsorption systems of an Fe atom on different sites are calculated, and the charge transfers are investigated. It is found that Fe-As interaction is stronger than Fe-Ga interaction and Fe atoms prefer to be adsorbed on the As-terminated surface. It is possible for the adsorbed Fe atoms to sit below the As-terminated surface resulting in an Fe-Ga-As mixed layer. The layer projected density states are calculated and compared with that of the clean surface.

引用

页码：473 / 476

页数：4

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