期刊
APPLIED PHYSICS LETTERS
卷 96, 期 20, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3431290
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
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]
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