纤锌矿硅的单轴压力带隙工程

Ziwei Cui
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引用次数: 1

摘要

采用第一性原理计算研究了纤锌矿硅(WZ-Si)的电子性质。发现WZ-Si在环境条件下是一种间接带隙半导体。沿c方向的单轴应变可以显著减小Γ处的直接能隙。压缩WZ-Si所需的计算压力并不高,这表明应变WZ-Si具有实际应用的潜力。发现电子的有效质量强烈依赖于应变,这可以用来调整输运性质。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Band Gap Engineering of Wurtzite Silicon by Uniaxial Pressure
Electronic properties of wurtzite silicon (WZ-Si) are investigated by first-principle calculation. It is found that WZ-Si is an indirect band-gap semiconductor at ambient condition. A uniaxial strain along the c-direction can reduce the direct energy gap at Γ significantly. Calculated pressure needed to compress WZ-Si is not too high, which shows strained WZ-Si would be potential in practical use. The effective mass of electron is found strongly dependent on strain which could be used to tailor the transport properties.
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