Electronic Band Gap of ZnO under Triaxial Strain
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition2013年第1期
论文作者：秦国强 ZHANG Guanglei YANG Jinhui YU Gang FU Hua JI Fengqiu
文章页码：48 - 51
摘 要：The effect of triaxial strains on the band gap of wurtzite ZnO has been investigated by the first principles calculations. The results indicate that, after application of triaxial strain, the wurtzite ZnO is still a direct band gap semiconductor with conduction-and valence-band minima remains at the Γ point. Comparing with the unstrained ZnO, the Eg at Γ point increases under compressive strain but decreases under tensile strain. This triaxial strain model is in better agreement with the experimental results than the widely-employed in-plane biaxial strain model, thus providing a more accurate explanation on the behaviors of ZnO thin film under three-dimensional strain.
秦国强1,2，ZHANG Guanglei1,2，YANG Jinhui1，YU Gang1，FU Hua1，JI Fengqiu1
1. School of Materials Science and Engineering, Shijiazhuang Tiedao University2. State Key Laboratory of Metastable Materials Science and Technology (Yanshan University)
摘 要：The effect of triaxial strains on the band gap of wurtzite ZnO has been investigated by the first principles calculations. The results indicate that, after application of triaxial strain, the wurtzite ZnO is still a direct band gap semiconductor with conduction-and valence-band minima remains at the Γ point. Comparing with the unstrained ZnO, the Eg at Γ point increases under compressive strain but decreases under tensile strain. This triaxial strain model is in better agreement with the experimental results than the widely-employed in-plane biaxial strain model, thus providing a more accurate explanation on the behaviors of ZnO thin film under three-dimensional strain.
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