Missing-row asymmetric-dimer reconstruction of SiC(001)-c(4x2)

被引：53

作者：

Lu, WC ^{[1
]}

Kruger, P ^{[1
]}

Pollmann, J ^{[1
]}

机构：

[1] Univ Munster, Inst Theoret Phys Festkorperphys 2, D-48149 Munster, Germany

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 11期

关键词：

D O I：

10.1103/PhysRevLett.81.2292

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new reconstruction model for the cubic SiC(001)-c(4 x 2) surface is suggested on the basis of ab initio pseudopotential total energy and grand canonical potential calculations. Our results clearly favor an adatom structure with half a monolayer of Si atoms adsorbed at the Si-terminated surface. The adatoms form a missing-row reconstruction with strong asymmetric dimers whose bond length is 2.3 Angstrom. The model exhibits a semiconducting surface and it is in good accord with recent experimental data. The previously suggested alternatively up- and down-dimer model turns out to be neither a stable nor a metastable structure.

引用

页码：2292 / 2295

页数：4

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