Strain effect on the electronic and optical properties of 2D Tetrahexcarbon: a DFT-based study

被引：59

作者：

Hoat, D. M. ^{[1
,2
]}

Amirian, Shirin ^{[3
]}

Alborznia, Hamidreza ^{[3
]}

Laref, Amel ^{[4
]}

Reshak, A. H. ^{[5
,6
,7
]}

Naseri, Mosayeb ^{[3
]}

机构：

[1] Ton Duc Thang Univ, Adv Inst Mat Sci, Computat Lab Adv Mat & Struct, Ho Chi Minh City, Vietnam

[2] Ton Duc Thang Univ, Fac Sci Appl, Ho Chi Minh City, Vietnam

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

[4] King Saud Univ, Fac Sci, Phys Dept, Riyadh, Saudi Arabia

[5] Univ Basrah, Coll Sci, Phys Dept, Basrah, Iraq

[6] Czech Tech Univ, Fac Mech Engn, Dept Instrumentat & Control Engn, Tech 4, Prague 16607 6, Czech Republic

[7] Univ Malaysia Perlis, Sch Mat Engn, Ctr Excellence Geopolymer & Green Technol, Kangar 01007, Perlis, Malaysia

来源：

INDIAN JOURNAL OF PHYSICS | 2021年 / 95卷 / 11期

关键词：

First-principles calculations; TH-carbon monolayer; Electronic Properties; Optical properties; Strain effect; CARBON; GRAPHENE; MONOLAYER; ALLOTROPE; ANALOGS;

D O I：

10.1007/s12648-020-01913-1

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new two-dimensional (2D) carbon allotrope, namely Tetrahexcarbon (TH-carbon) semiconductor monolayer with a direct band gap resides in the visible region of the electromagnetic spectra, has been recently proposed theoretically. Herein, the influences of biaxial strains on the electrical and optical aspects of 2D TH-carbon are computationally investigated. To this end, first-principles calculations based on the properties of the density functional theory were employed. According to our simulations, the electronic and optical properties of 2D TH-carbon are effectively sensitive to the external strain effects. This obtained strain sensitivity suggests that this 2D material could be a promising material for usage in new electronic technologies. [GRAPHICS] .

引用

页码：2365 / 2373

页数：9

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