SPIN POLARIZATION AND DIMER BUCKLING AT THE SI(100)-2X1 SURFACE

被引：28

作者：

ARTACHO, E ^{[1
]}

YNDURAIN, F ^{[1
]}

机构：

[1] MAX PLANCK INST FESTKORPERFORSCH,W-7000 STUTTGART 80,GERMANY

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 17期

关键词：

D O I：

10.1103/PhysRevB.42.11310

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A spin-resolved nonparametrized calculation of the electronic structure of the Si(100)-2×1 surface is presented. The current symmetric and asymmetric dimer models are considered. An energy gain of about 0.5 eV per surface atom is gained by including spin correlations in the calculations. The electronic charge and spin densities in the vicinity of the surface are presented. The results of the calculations strongly suggest that the dimer buckling is much smaller than predicted by previous spin-independent calculations. © 1990 The American Physical Society.

引用

页码：11310 / 11316

页数：7

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