Geometry and electronic band structure of surfaces: the case of Ge(111):Sn and C(111)

被引：0
|
作者：
O. Pulci
M. Marsili
P. Gori
M. Palummo
A. Cricenti
F. Bechstedt
R. Del Sole
机构：
[1] University of Rome ‘Tor Vergata’,European Theoretical Spectroscopy Facility (ETSF) and CNR
[2] CNR,INFM, CNISM, Department of Physics
[3] Istituto di Struttura della Materia (ISM),European Theoretical Spectroscopy Facility (ETSF) and IFTO
[4] Friedrich Schiller Universität,undefined
来源：
Applied Physics A | 2006年 / 85卷
关键词：
Scanning Tunneling Microscopy Image; Electronic Band Structure; Surface Band; Local Density Approximation Calculation; Surface Brillouin Zone;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
We present an ab initio study of two semiconductor surfaces, the α phase of Sn on Ge(111) and the cleavage surface of diamond. The theoretical tools used (density functional theory (DFT) and many-body perturbation theory) are discussed in detail, and the advantages and disadvantages of the two approaches are pointed out. We show that in the case of diamond it is essential to go beyond the DFT single-particle approach, and to introduce quasiparticle effects through the GW approximation.
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页码：361 / 369
页数：8
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