Theoretical study of the nonpolar surfaces and their oxygen passivation in 4H- and 6H-SiC -: art. no. 245323

被引：30

作者：

Rauls, E

Hajnal, Z

Deák, P

Frauenheim, T

机构：

[1] Univ Gesamthsch Paderborn, Fachbereich Phys, D-33100 Paderborn, Germany

[2] Hungarian Acad Sci, Res Inst Tech Phys & Mat Sci, H-1525 Budapest, Hungary

[3] Tech Univ Budapest, Dept Atom Phys, H-1111 Budapest, Hungary

来源：

PHYSICAL REVIEW B | 2001年 / 64卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.64.245323

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Structure and stability of nonpolar surfaces in 4H- and 6H-SiC have been investigated within the framework of a self-consistent charge density functional based tight binding method. The lowest energy stoichiometric surface is corrugated for (10 (1) over bar0) but atomically smooth for (11 (2) over bar0). The most stable clean surfaces are Si rich. independent of the growth conditions. Unlike the polar surfaces both nonpolar surfaces can completely be passivated by a single SiO2 adlayer.

引用

页数：7

共 24 条

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