Structural units and low-energy configurations of [0001] tilt grain boundaries in GaN

被引：36

作者：

Chen, J ^{[1
]}

Ruterana, P

Nouet, G

机构：

[1] Inst Univ Technol, Lab Univ Rech Sci, F-61250 Damigny, France

[2] Inst Sci Mat & Rayonnement, Lab Etud & Rech Mat, CNRS, FRE 2149, F-14050 Caen, France

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 20期

关键词：

D O I：

10.1103/PhysRevB.67.205210

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The potential energy of [0001] tilt coincidence grain boundaries has been calculated using a Stillinger-Weber potential that was previously adapted to wurtzite (GaN) in order to take into account the Ga-Ga and N-N wrong bonds. The atomic structures of the grain boundaries have been determined for the lowest-energy configuration. They are described in terms of a limited number of structural units corresponding to the cores of the 1/3[11 (2) over bar0] edge dislocation. The potential energy curve versus tilt angle shows two energy minima for Sigma = 7 and 13.

引用

页数：7

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