Adatoms and vacancies on the diamond(111) surface

被引：8

作者：

Bechstedt, F

Schmidt, WG

Scholze, A

机构：

[1] Friedrich-Schiller-Universität, Inst. Festkorpertheorie Theor. Optik, 07743 Jena

来源：

EUROPHYSICS LETTERS | 1996年 / 35卷 / 08期

关键词：

D O I：

10.1209/epl/i1996-00155-0

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First-principles total-energy and band-structure calculations are performed for a series of 2x2 adatom structures and vacancies on the diamond(111) surface. The optimized geometries are related to band structures with narrow or vanishing gaps. In contrast to silicon and germanium, we find that adatoms and vacancies on the diamond surface are energetically less favourable than the relaxed unreconstructed surface.

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页码：585 / 590

页数：6

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