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Computational study on strain and electric field tunable electronic and optical properties of InTe monolayer
Micro and Nanostructures ( IF 3.1 ) Pub Date : 2021-01-20 , DOI: 10.1016/j.spmi.2021.106816
Thi-Nga Do , Vo T.T. Vi , Nguyen T.T. Binh , Nguyen N. Hieu , Nguyen V. Hieu

We comprehensively study the electronic and optical properties of InTe monolayer in the presence of biaxial strain and electric field using density functional theory. Via analysis phonon spectrum, InTe monolayer is confirmed to be dynamically stable. InTe monolayer has an indirect semiconducting characteristic with a band gap of 1.25 eV at equilibrium and can be controlled by strain or electric field. The semiconductor–metal phase transition has been found in InTe monolayer at a large electric field of E=5 V/nm. The optical attributes of InTe monolayer depend strongly on the polarization direction of the incident light. The optical absorption coefficient is activated in the infrared region and increases rapidly in the visible light region. While optical properties are independent of the electric field, strain engineering alters not only the intensity of optical peaks but also their position.



中文翻译:

InTe单层的应变和电场可调电子和光学性质的计算研究

我们使用密度泛函理论全面研究了在双轴应变和电场存在下InTe单层的电子和光学性质。通过分析声子光谱,证实InTe单层是动态稳定的。InTe单层具有间接半导体特性,平衡时带隙为1.25 eV,可以通过应变或电场控制。在InTe单层中的大电场下发现了半导体-金属相变。Ë=5V / nm。InTe单层的光学属性在很大程度上取决于入射光的偏振方向。光吸收系数在红外区域被激活,并在可见光区域迅速增加。尽管光学特性与电场无关,但应变工程不仅会改变光峰的强度,而且会改变其位置。

更新日期:2021-01-28
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