First principles calculations for band-gap energy properties of non-polar and semi-polar ternary nitride alloys under in-plane strain

被引：0

作者：

Yan, Han ^{[1
,2
]}

Liu, Sheng ^{[1
,2
]}

Zhang, Rongjun ^{[1
,2
]}

Wang, Pei ^{[2
]}

Gan, Zhiyin ^{[1
,2
]}

机构：

[1] Huazhong Univ Sci & Technol, Sch Mech Sci & Engn, State Key Lab Digital Mfg Equipment & Technol, Inst Microsyst, Wuhan 430074, Peoples R China

[2] Wuhan Natl Lab Optoelect, Div MOEMS, Wuhan 430074, Peoples R China

来源：

EUROPEAN PHYSICAL JOURNAL B | 2013年 / 86卷 / 02期

关键词：

GROWTH;

D O I：

10.1140/epjb/e2012-30742-5

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Strain-induced band-gap energies properties of non-polar and semi-polar ternary nitride alloys are investigated by first-principles calculation based on density functional theory. The tensile and compressive strains in non-polar and semi-polar plane of wurtzite structures are analyzed and discussed. From the calculation results, we find that the band-gap energies of both Al0.5Ga0.5N and In0.5Ga0.5N super-cells under strains in m-plane (1 (1) under bar 00) are smaller than that in a-plane (11 (2) under bar0). In addition, m-plane (1 (1) under bar 00) Al0.5Ga0.5N based optoelectronic device will have more significant shift of emission wavelength than a-plane (11 (2) under bar0) and semi-polar plane (11 (2) under bar2) with the same strains. The tensile and compressive strains in semi-polar plane have similar magnitude of influence on the emission wavelength of In0.5Ga0.5N. The calculations provide a qualitative picture of the strain effects on the band-gap energy.

引用

页数：5

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