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Silicon is a preferred material in solar cells,and most of silicon allotropes have an indirect band gap.Therefore,it is important to find new direct band gap silicon.In the present work,a new direct band gap silicon allotrope of o-Si32 is discovered.The elastic constants,elastic anisotropy,phonon spectra,and electronic structure of o-Si32 are obtained using first-principles calculations.The results show that o-Si32 is mechanically and dynamically stable and is a direct semiconductor material with a band gap of 1.261 e V. 相似文献
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Xin-Chao Yang 《中国物理 B》2022,31(2):26104-026104
Silicon is a preferred material in solar cells, and most of silicon allotropes have an indirect band gap. Therefore, it is important to find new direct band gap silicon. In the present work, a new direct band gap silicon allotrope of o-Si32 is discovered. The elastic constants, elastic anisotropy, phonon spectra, and electronic structure of o-Si32 are obtained using first-principles calculations. The results show that o-Si32 is mechanically and dynamically stable and is a direct semiconductor material with a band gap of 1.261 eV. 相似文献
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