Mechanism for enhanced single-crystal GaN growth in the C-assisted Na-flux method

被引：9

作者：

Kawamura, Takahiro ^{[1
,2
]}

Imabayashi, Hiroki ^{[2
]}

Maruyama, Mihoko ^{[2
]}

Imade, Mamoru ^{[2
]}

Yoshimura, Masashi ^{[2
]}

Mori, Yusuke ^{[2
]}

Morikawa, Yoshitada ^{[2
]}

机构：

[1] Mie Univ, Grad Sch Engn, Tsu, Mie 5148507, Japan

[2] Osaka Univ, Grad Sch Engn, 2-2 Yamadaoka, Suita, Osaka 5650871, Japan

来源：

APPLIED PHYSICS EXPRESS | 2016年 / 9卷 / 01期

关键词：

1ST-PRINCIPLES; DYNAMICS; SODIUM;

D O I：

10.7567/APEX.9.015601

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

First-principles molecular dynamics simulations are used to examine the effect of C addition in Na-flux growth of GaN. The mechanism for suppression of polycrystalline growth and the enhancement of single-crystal growth was identified by systematically calculating activation free energies for the formation and dissociation of C-N bonds. The energy barrier for C-N dissociation in a Ga-Na melt is >= 3 eV; thus, dissociation is inhibited and the growth of polycrystals is suppressed. However, at kink sites at a Na/GaN interface with excess Ga atoms, the barrier is only similar to 1.0 eV, allowing C-N dissociation and growth of GaN single crystals. (C) 2016 The Japan Society of Applied Physics

引用

页数：4

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