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Tunable Electronic Structure Oscillations on Layer-Dependent Multilayer Janus Heterostructures

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成果类型:
期刊论文
作者:
Liu, Huating*;Huang, Zongyu;Zhang, Shenrui;Qi, Xiang
通讯作者:
Liu, HT;Liu, Huating;Huang, ZY
作者机构:
[Liu, Huating] Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.
[Huang, Zongyu; Liu, Huating; Qi, Xiang; Zhang, Shenrui; Huang, ZY] Xiangtan Univ, Sch Phys & Optoelect, Hunan Key Lab Micronano Energy Mat & Devices, Xiangtan 411105, Hunan, Peoples R China.
[Huang, Zongyu; Huang, ZY] Hunan Univ, Hunan Key Lab Two Dimens Mat, Changsha 410082, Peoples R China.
通讯机构:
[Liu, HT ] W
[Liu, HT; Huang, ZY ] X
Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.
Xiangtan Univ, Sch Phys & Optoelect, Hunan Key Lab Micronano Energy Mat & Devices, Xiangtan 411105, Hunan, Peoples R China.
Hunan Univ, Hunan Key Lab Two Dimens Mat, Changsha 410082, Peoples R China.
语种:
英文
关键词:
Janus transition metal dichalcogenides;heterostructures;electronic structure;multilayer
期刊:
Journal of Electronic Materials
ISSN:
0361-5235
年:
2023
卷:
52
期:
9
页码:
5955-5963
基金类别:
National Key R&D Program of the MOST of China [2022YFA1602602]; Provincial Natural Science Foundation of Hunan [2022JJ30553]; Scientific Research Fund of Hunan Provincial Education Department [21A0080, 21B0128]; National Natural Science Foundation of China [12274359]; Hunan Key Laboratory of Two-Dimensional Materials [2018TP1010]; Research Project of Wuhan Polytechnic University [2023Y38]
机构署名:
本校为第一且通讯机构
院系归属:
电气与电子工程学院
摘要:
The structure and electronic properties of bilayer, trilayer, and multilayer vertical Janus heterostructures are studied by first-principles calculation. By comparing the electronic structure of monolayer SMoS, monolayer SeMoS, and SMoS/SeMoS heterostructures, it has been found that, when SMoS forms heterostructures with more than two layers of Janus SeMoS, the band gap of the system changes from direct to indirect. In the Janus heterostructure system, significant charge transfer occurs between layers and a certain built-in electric field occurs. Due to the different contribution of Mo-d orbit...

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