Abstract By using first-principles calculations, the electronic and optical properties of GeC sheet under strain have been investigated. The results demonstrate that both biaxial compressive and tensile strain change the band gap of GeC sheet. The capability of direct to indirect band gap transition is observed by exerting the in-plane biaxial strain on GeC sheet. Also, by applying the tensile (compressive) strain, the optical spectra are globally shifted toward lower (higher) photon energies. The results demonstrate that the electronic structure and optical properties of GeC sheet can be tuned by strain engineering and the GeC sheet can be a promising material for the future nano-based electrical and optical devices.

中文翻译：

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机械应变下碳化锗能带结构和光谱的第一性原理研究

摘要 通过第一性原理计算，研究了GeC片在应变作用下的电子和光学性质。结果表明，双轴压缩应变和拉伸应变都改变了 GeC 片的带隙。通过在 GeC 片上施加面内双轴应变来观察直接到间接带隙转变的能力。此外，通过施加拉伸（压缩）应变，光谱全局向较低（较高）光子能量移动。结果表明，GeC 片的电子结构和光学性能可以通过应变工程进行调节，并且 GeC 片可以成为未来纳米基电气和光学器件的有前途的材料。