Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles study

被引：55

作者：

Bafekry, A. ^{[1
,2
]}

Faraji, M. ^{[3
]}

Fadlallah, M. M. ^{[4
]}

Jappor, H. R. ^{[5
]}

Karbasizadeh, S. ^{[6
]}

Ghergherehchi, M. ^{[7
]}

Sarsari, I. Abdolhosseini ^{[6
]}

Ziabari, A. Abdolahzadeh ^{[8
]}

机构：

[1] Shahid Beheshti Univ, Dept Radiat Applicat, Tehran 1983969411, Iran

[2] Univ Antwerp, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium

[3] TOBB Univ Econ & Technol, Sogutozu Caddesi 43 Sogutozu, TR-06560 Ankara, Turkey

[4] Benha Univ, Dept Phys, Fac Sci, Banha 13518, Egypt

[5] Univ Babylon, Dept Phys, Coll Educ Pure Sci, Hilla, Iraq

[6] Isfahan Univ Technol, Dept Phys, Esfahan 8415683111, Iran

[7] Sungkyunkwan Univ, Dept Elect & Comp Engn, Suwon 16419, South Korea

[8] Islamic Azad Univ, Lahijan Branch, Nano Res Lab, Lahijan 1616, Iran

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2021年 / 23卷 / 34期

基金：

新加坡国家研究基金会;

关键词：

ELECTRONIC-PROPERTIES; GRAPHENE; FIELD; PD;

D O I：

10.1039/d1cp02590b

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 work, motivated by the fabrication of an AlSb monolayer, we have focused on the electronic, mechanical and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures, employing the density functional theory approach. The phonon band structure and cohesive energy confirm the stability of the XSb (X = Al and In) monolayers. The mechanical properties reveal that the XSb monolayers have a brittle nature. Using the GGA + SOC (HSE + SOC) functionals, the bandgap of the AlSb monolayer is predicted to be direct, while InSb has a metallic character using both functionals. We find that XSb (X = Al, In) two-dimensional bodies can absorb ultraviolet light. The present findings suggest several applications of AlSb and InSb monolayers in novel optical and electronic usages.

引用

页码：18752 / 18759

页数：8

共 57 条

[1] PHON: A program to calculate phonons using the small displacement method [J].