Reconstructions of the Si-terminated (100) surface in β-SiC:: A theoretical study

被引：16

作者：

Gutierrez, R ^{[1
]}

Haugk, M

Elsner, J

Jungnickel, G

Elstner, M

Sieck, A

Frauenheim, T

Porezag, D

机构：

[1] Tech Univ, Inst Phys, D-09107 Chemnitz, Germany

[2] Univ Gesamthsch Paderborn, Fachbereich Phys, D-33098 Paderborn, Germany

[3] USN, Res Lab, Complex Syst Theory Branch, Washington, DC 20375 USA

来源：

PHYSICAL REVIEW B | 1999年 / 60卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.60.1771

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using a self-consistent-charge density-functional based tight-binding approach the structural properties and relative stabilities of Si-terminated reconstructions of the (100) surface in beta-SiC are discussed. All low-energy surfaces are found to be semiconducting. Over a wide range of growth conditions a model with 2 x 3 periodicity has a low formation energy. Only in a Si-rich environment does a 3 x 2 structure become stable. [S0163-1829(99)04824-9].

引用

页码：1771 / 1776

页数：6

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