Modified Stillinger-Weber potential for planar defects modeling in GaN

被引：3

作者：

Béré, A ^{[1
]}

Vermaut, P ^{[1
]}

Hairie, A ^{[1
]}

Paumier, E ^{[1
]}

Ruterana, P ^{[1
]}

Nouet, G ^{[1
]}

机构：

[1] Inst Sci Mat & Rayonnement, UPRESA CNRS 6004, Lab Etudes & Rech Mat, F-14050 Caen, France

来源：

INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98 | 1999年 / 294-2卷

关键词：

nitride; AlN; GaN; InN; Stillinger-Weber; defects;

D O I：

10.4028/www.scientific.net/MSF.294-296.223

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The Stillinger-Weber potential is modified to study properties of GaN. A gaussian term was added to the Stillinger-Weber potential to be able to include the third nearest neighbours interactions. The results reproduce all the equilibrium lattice constants and the bulk modulus for the wurtzite and zincblende structures. Using the modified Stillinger-Weber potential, we investigate the atomic structure of the {11(2) over bar 0} planar defects, and its stability. It is found that the Drum model is energetically more favorable than the Amelinckx model.

引用

页码：223 / 226

页数：4

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