Tuning the electronic and optical properties of XP(X = Al,Ga) monolayer semiconductors using biaxial strain effect: Modified Becke-Johnson calculations

被引：25

作者：

Akbari, Ahmad ^{[1
]}

Naseri, Mosayeb ^{[2
]}

Jalilian, Jaafar ^{[3
]}

机构：

[1] Islamic Azad Univ, Kermanshah Branch, Dept Mech Engn, Kermanshah, Iran

[2] Islamic Azad Univ, Kermanshah Branch, Dept Phys, Kermanshah, Iran

[3] Islamic Azad Univ, Kermanshah Branch, Young Researchers & Elite Club, Kermanshah, Iran

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 691卷

关键词：

Graphene-like; Gap tuning; Optical absorption; Band structure; BORON-NITRIDE; STRESS; SE;

D O I：

10.1016/j.cplett.2017.11.021

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper, based on full potential density functional theory calculations, the electronic and optical properties of aluminium and gallium phosphide (AlP and GaP) graphene-like structures are investigated under different biaxial compressive and tensile strain loads. One of the fascinating properties of these new monolayers is their high stretch-ability and high mechanosensitivity of their electronic and optical features. The electronic calculations display that the energy gap of materials versus the exerted strain can be estimated by a second order polynomial equation. Furthermore, the optical calculations indicate that the electronic and optical gap of AlP and GaP monolayers can be tuned by biaxial strain loads. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：181 / 189

页数：9

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