Atomic structure and energetics of the c-GaN(001) surface

被引：3

作者：

Rauls, E. ^{[1
]}

Dijkstra, S. J. ^{[1
]}

Schmidt, W. G. ^{[1
]}

机构：

[1] Univ Gesamthsch Paderborn, Lehrstuhl Theoret Phys, D-33095 Paderborn, Germany

来源：

PHYSICAL REVIEW B | 2008年 / 78卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.78.113302

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density functional theory calculations are used to explore the geometry and stability of zinc-blende GaN(001). We find that the surface structure changes from a nitrogen adatom structure under nitrogen-rich conditions to a gallium contracted adlayer structure under gallium-rich conditions. Nitrogen adsorbed on this contracted adlayer has the tendency to penetrate the contracted adlayer, thus allowing for epitaxial growth.

引用

页数：4

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