Band gap tuning in GaN through equibiaxial in-plane strains

被引：83

作者：

Dong, L. ^{[1
]}

Yadav, S. K. ^{[2
,3
]}

Ramprasad, R. ^{[1
,2
,3
]}

Alpay, S. P. ^{[1
,2
,3
]}

机构：

[1] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA

[2] Univ Connecticut, Mat Sci & Engn Program, Storrs, CT 06269 USA

[3] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA

来源：

APPLIED PHYSICS LETTERS | 2010年 / 96卷 / 20期

关键词：

density functional theory; energy gap; gallium compounds; III-V semiconductors; semiconductor thin films; solid-state phase transformations; tensile strength; tuning; wide band gap semiconductors; SEMICONDUCTORS; SOLIDS; INN; ALN;

D O I：

10.1063/1.3431290

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Structural transformations and the relative variation in the band gap energy (Delta E-g) of (0001) gallium nitride (GaN) films as a function of equibiaxial in-plane strains are studied by density functional theory. For relatively small compressive misfits (-6%-0%), the band gap is estimated to be around its strain-free value, while for small tensile strains (0%-6%), it decreases by approximately 45%. In addition, at large tensile strains (> 14.5%), our calculations indicate that GaN may undergo a structural phase transition from wurtzite to a graphitelike semimetallic phase. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3431290]

引用

页数：3

共 20 条

[1] PROJECTOR AUGMENTED-WAVE METHOD [J].