Band-gap engineering of SnO2

被引：75

作者：

Mounkachi, O. ^{[1
]}

Salmani, E. ^{[2
]}

Lakhal, M. ^{[1
,2
]}

Ez-Zahraouy, H. ^{[2
]}

Hamedoun, M. ^{[1
]}

Benaissa, M. ^{[2
]}

Kara, A. ^{[3
]}

Ennaoui, A. ^{[4
,5
]}

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

机构：

[1] MAScIR, Inst Nanomat & Nanotechnol, Rabat, Morocco

[2] Univ Mohammed 5, Fac Sci, LMPHE, Rabat, Morocco

[3] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA

[4] QEERI, Doha, Qatar

[5] HBKU, Doha, Qatar

来源：

SOLAR ENERGY MATERIALS AND SOLAR CELLS | 2016年 / 148卷

关键词：

Semiconductors; SnO2; Multilayer; DFT; Band-gap engineering; QUANTUM CONFINEMENT; THIN-FILMS; TEMPERATURE; DEPOSITION; WIRES; DOTS;

D O I：

10.1016/j.solmat.2015.09.062

中图分类号：

TE [石油、天然气工业]; TK [能源与动力工程];

学科分类号：

0807 ; 0820 ;

摘要：

Using first principles calculations based on density functional theory (DFT), the electronic properties of SnO2 bulk and thin films are studied. The electronic band structures and total energy over a range of SnO2-multilayer have been studied using DFT within the local density approximation (LDA). We show that changing the interatomic distances and relative positions of atoms could modify the band-gap energy of SnO2 semiconductors. Electronic-structure calculations show that band-gap engineering is a powerful technique for the design of new promising candidates with a direct band-gap. Our results present an important advancement toward controlling the band structure and optoelectronic properties of few-layer SnO2 via strain engineering, with important implications for practical device applications. (C) 2015 Published by Elsevier B.V.

引用

页码：34 / 38

页数：5