论文标题
单层GASE的激素特性上的应变工程
Strain Engineering on the Excitonic Properties of Monolayer GaSe
论文作者
论文摘要
本文使用第一原理计算研究了对单层GASE的电子和光学特性的应变影响。变形显着改变了能量分散，带隙和GASE的带缘状态。带隙的演化与应变线性和非线性表现出来，并强烈取决于变形的类型和修饰的方向。外部机械应变还显着量身定制了GASE的光学特性，当应用拉伸应变时，激子结合能大大降低，而对于压缩应力，相反的方式是正确的。此外，不均匀菌株还诱导了吸收光谱中的强极化。我们的计算表明，通过使用应变工程来显着调整GASE单层的电子和光学性能，这似乎是设计新型光电设备的有前途的方法。
This paper investigates strain effects on the electronic and optical properties of monolayer GaSe using first-principles calculations. The deformation significantly alters energy dispersion, band gap, and the band edge states of GaSe. The band gap evolution exhibits both linearly and nonlinearly with the strains, and strongly depending on the types of deformation and the direction of the modifications. The external mechanical strains also significantly tailor the optical properties of GaSe, the exciton binding energy is strongly reduced when the tensile strain is applied, while the opposite way is true for compressive stress. Moreover, the inhomogeneous strain also induces strong polarization in the absorption spectra. Our calculations demonstrate that the electronic and optical properties of GaSe monolayer can be significantly tuned by using strain engineering which appears as a promising way to design novel optoelectronic devices.
