GEOMETRICAL-STRUCTURE AND ELECTRONIC-STRUCTURE OF THE RECONSTRUCTED DIAMOND(100) SURFACE

被引：51

作者：

KRESS, C

FIEDLER, M

SCHMIDT, WG

BECHSTEDT, F

机构：

[1] Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, 07743 Jena

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.50.17697

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present the result of fully self-consistent ab initio density-functional calculations for clean C(100) surfaces. Studying 2×2 and 2×1 reconstructed surfaces, we find the symmetric dimer 2×1 geometry to be the ground state. The corresponding electronic band structure is calculated within the GW approximation, i.e., many-body quasiparticle effects are included. © 1994 The American Physical Society.

引用

页码：17697 / 17700

页数：4

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