Ab initio calculations of the geometry and electronic structure of hydrogenated As/Ge(100)

被引：3

作者：

Mankefors, S ^{[1
]}

Nilsson, PO ^{[1
]}

Kanski, J ^{[1
]}

机构：

[1] Chalmers, Dept Phys, S-41296 Gothenburg, Sweden

来源：

PHYSICAL REVIEW B | 1999年 / 60卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.60.1933

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Arsenic deposited on Ge(100) has been investigated by means of ab initio local-density approximation calculations. The results support a previous interpretation of photoemission data in terms of symmetric As dimers. Additional surface states have been found in an energy range not investigated experimentally. Upon adsorption of hydrogen the dimerization is broken and each As atom binds two H atoms instead. The remaining single dangling p(z) orbital is shifted into the projected bulk density of states. The modified surface-state band structure is predicted to contain some features that should be clearly visible in photoemission spectra.

引用

页码：1933 / 1938

页数：6

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