Electronic structure and optical properties of two-dimensional tetragonal and hexagonal ScN monolayers: Impact of strain

被引：11

作者：

Tamleh, Sh ^{[1
]}

Rezaei, G. ^{[1
]}

Vaseghi, B. ^{[1
]}

Jalilian, J. ^{[1
]}

机构：

[1] Yosouj Univ, Coll Sci, Dept Phys, Yasuj 75914353, Iran

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2020年 / 138卷

关键词：

ScN monolayers; Density functional theory; Stress and strain; Electronic band structure; Optical properties; SCANDIUM NITRIDE; OPTOELECTRONIC PROPERTIES; BE2C MONOLAYER; STRESS; SEMICONDUCTOR; TRANSITION; ADSORPTION; GROWTH; SHEET; MOS2;

D O I：

10.1016/j.jpcs.2019.109270

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Band structure and optical spectrum of hexagonal and tetragonal ScN monolayers are studied using density functional theory. More accurate and reliable mBJ-GGA method is applied to find the compressive and tensile strain effects on electronic and optical properties of these structures. Results show different band structure and optical behavior of these models and considerable effects of tension on their physical properties.

引用

页数：9

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