Electronic and Optical Properties of Novel Graphene‐Like InTe Monolayer: First Principle Calculations,Crystal Research and Technology

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Electronic and Optical Properties of Novel Graphene‐Like InTe Monolayer: First Principle Calculations
Crystal Research and Technology ( IF 1.5 ) Pub Date : 2020-09-16 , DOI: 10.1002/crat.202000102
Yujie Liao ₁ , Huating Liu ₁ , Guanghui Yuan ₁ , Zongyu Huang ₁ , Xiang Qi ₁

Affiliation

Inspired by the research on exotic two‐dimensional (2D) carbon nanomaterials, that is, graphene, monolayer group‐IIIA chalcogenide compounds have broad application prospects in the field of material science and device physics. The structure characteristics and electronic and optical properties of the graphene‐like InTe monolayer are calculated and discussed in this work. It is found that the two sides of InTe monolayer are the same elements with the same electronegativity, and its charge distribution is very uniform. The band structure indicates that the InTe monolayer exhibits an indirect‐band gap of 1.286 eV. It is also noted that the absorption of InTe monolayer extends from the ultraviolet region to the visible region, reflecting its ability to capture light in a wide spectrum. Additionally, the absorption coefficient of InTe monolayer in the ultraviolet is up to 10⁻⁵ cm^–1, which indicates that InTe has certain advantages in the application of ultraviolet detectors and photovoltaic absorption devices. Therefore, the present work provides a theoretical foundation for the design of electronic and optoelectronic device based on InTe, and further provides a favorable guidance for the practical application of these materials.

中文翻译：

新型石墨烯状InTe单层的电子和光学性质：第一原理计算

受异乎寻常的二维（2D）碳纳米材料即石墨烯研究的启发，单层IIIA硫族化物化合物在材料科学和器件物理领域具有广阔的应用前景。在本文中计算并讨论了石墨烯状InTe单层的结构特征以及电子和光学性质。发现InTe单层的两侧是具有相同电负性的相同元素，并且其电荷分布非常均匀。带结构表明InTe单层的间接带隙为1.286 eV。还应注意，InTe单层的吸收从紫外区延伸到可见区，反映了其捕获宽光谱光的能力。另外，⁻⁵ cm ^–1，表明InTe在紫外线探测器和光伏吸收装置的应用中具有某些优势。因此，本工作为基于InTe的电子和光电子器件的设计提供了理论基础，并为这些材料的实际应用提供了有益的指导。

更新日期：2020-09-16

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