Carrier and magnetism engineering for monolayer SnS2 by high throughput first-principles calculations

被引：2
|
作者：
Zhan, Qing [1 ]
Luo, Xiaoguang [2 ,3 ]
Zhang, Hao [1 ]
Zhang, Zhenxiao [1 ]
Liu, Dongdong [1 ]
Cheng, Yingchun [1 ]
机构：
[1] Nanjing Tech Univ, Jiangsu Natl Synerget Innovat Ctr Adv Mat, Key Lab Flexible Elect & Inst Adv Mat, Nanjing 211816, Jiangsu, Peoples R China
[2] Northwestern Polytech Univ, Shaanxi Inst Flexible Elect SIFE, Frontiers Sci Ctr Flexible Elect FSCFE, Xian 710129, Shaanxi, Peoples R China
[3] Northwestern Polytech Univ, Shaanxi Inst Biomed Mat & Engn SIBME, Xian 710129, Shaanxi, Peoples R China
来源：
CHINESE PHYSICS B | 2021年 / 30卷 / 11期
基金：
中国国家自然科学基金;
关键词：
SnS2; high throughput first-principles calculations; carrier; magnetism; METAL;
D O I：
10.1088/1674-1056/ac2805
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Two-dimensional (2D) semiconducting tin disulfide (SnS2) has been widely used for optoelectronic applications. To functionalize SnS2 for extending its application, we investigate the stability, electronic and magnetic properties of substitutional doping by high throughput first-principles calculations. There are a lot of elements that can be doped in monolayer SnS2. Nonmetal in group A can introduce p-type and n-type carriers, while most metals in group A can only lead to p-type doping. Not only 3d, but also 4d and 5d transition metals in groups VB to VIIIB9 can introduce magnetism in SnS2, which is potentially applicable for spintronics. This study provides a comprehensive view of functionalization of SnS2 by substitutional doping, which will guide further experimental realization.
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页数：5
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