Lattice stability study of nitride semiconductors by the use of molecular dynamics calculation

被引：9

作者：

Matsumura, S ^{[1
]}

Inushima, T ^{[1
]}

Shiraishi, T ^{[1
]}

机构：

[1] Tokai Univ, Dept Commun Engn, Hiratsuka, Kanagawa 25912, Japan

来源：

JOURNAL OF CRYSTAL GROWTH | 1998年 / 189卷

关键词：

molecular dynamics calculation; nitride semiconductors; lattice stability;

D O I：

10.1016/S0022-0248(98)00261-9

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

A first-principle molecular dynamics calculation of structural and lattice dynamic properties of wurtzite GaN and InN was presented. The simplest partial ionic two-body potential model was employed to reproduce the lattice constants and the phonon frequencies of InN and GaN. From the temperature dependence of the lattice constant and the vibration amplitudes it was made clear that lattice instability existed in InN induced by the vibration of the atoms along the c-direction. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：696 / 700

页数：5

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