Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. In addition, this new allotrope displays large carrier mobility (~104 cm/V · s) at room temperature and a low mass density (1.71 g/cm3), making it a promising material for optoelectronic applications.
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机译：由于与发达的基于硅的半导体工业的兼容性，人们对开发具有直接能带隙的硅结构以有效收集太阳光非常感兴趣。在本文中，我们以硅三角形为基础，提出了一种新的硅同素异形体，其直接带隙为0.61 eV，具有动态，热和机械稳定性。对称群分析进一步表明，在直接带隙处允许偶极跃迁。此外，这种新型同素异形体在室温下显示出大的载流子迁移率（〜10 4 cm / V·s），质量密度低（1.71 g / cm 3 ），使其成为光电子应用的有前途的材料。
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