The electronic structure of GaSe/silicane (GaSe/SiH) van der Waals (vdW) heterostructure in response to a vertical electric field and strain was studied via first-principle calculations. The heterostructure had indirect band gap characteristics in the range [−1.0, −0.4] V/Å and direct band gap features in the range [−0.3, 0.2] V/Å. Furthermore, a type-II to type-I band alignment transition appeared at −0.7 and −0.3 V/Å. Additionally, the GaSe/SiH vdW heterostructure had a type-II band alignment under strain, but an indirect to direct band gap semiconductor transition occurred at −3%. These results indicated that the GaSe/SiH vdW heterostructure may have applications in novel nanoelectronic and optoelectronic devices.

中文翻译：

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通过外电场和应变调谐GaSe / Silicane Van der Waals异质结构的电子性质：第一性原理研究

通过第一性原理计算研究了GaSe /硅烷（GaSe / SiH）范德华（vdW）异质结构对垂直电场和应变的响应。异质结构具有在[-1.0，-0.4] V /Å范围内的间接带隙特征和在[-0.3，0.2] V /Å范围内的直接带隙特征。此外，II型至I型的能带取向转变出现在-0.7和-0.3 V /Å处。另外，GaSe / SiH vdW异质结构在应变下具有II型能带对准，但是在-3％处发生了间接到直接的带隙半导体跃迁。这些结果表明，GaSe / SiH vdW异质结构可能在新型纳米电子和光电器件中具有应用。