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Electronic band structure of high-symmetry homobilayers of transition metal dichalcogenides

文献类型：期刊论文

作者Zhang, Heng2,6; Xu, Wen1,2,3,4; Xiao, Yiming3,4; Peeters, Francois M.1,5; Milosevic, Milorad V.5
刊名PHYSICAL REVIEW B
出版日期2024-09-06
卷号110
ISSN号2469-9950
DOI10.1103/PhysRevB.110.115410
通讯作者Xu, Wen(wenxu_issp@aliyun.com)
英文摘要High-symmetric homobilayer transition metal dichalcogenides (TMDs) are important members of the bilayer (BL) van der Waals material family. Here we present a systematic study of the electronic band structure in low-energy regime in homo-BL TMD structures by using the standard k p method. Six types of BL TMD stacking configurations, which satisfy the C3 symmetry are considered and they are HMM, HMX, HXX, RMM, RXM, and RXM. The intrinsic spin-orbit coupling (SOC) in the conduction and valence bands and the phase of interlayer hopping matrix elements are included in our investigation. Taking BL MoS2 as an example, we examine the electronic energy spectra, the electron density of states, and the Fermi energies in these BL structures. We find that the electron energy dispersions in high-symmetric BL TMDs are not parabolic-like, where the band parameters (such as the energy gap, the effective electron band mass and the fourth-order correction coefficient in different subbands) depend markedly on the stacking configurations. Interestingly, the spin splitting in H-stacked BL TMDs is suppressed because of center-inversion symmetry and time-reversal symmetry. Importantly, the phase of the interlayer hopping matrix element affects significantly the electronic properties of HXX and RMM stacked BL TMDs. The methodology and the results presented in this study can foster further exploration of the basic physical properties of BL TMDs for potential applications in electronics and optoelectronics.
WOS关键词SUPERCONDUCTIVITY
资助项目National Natural Sci-ence foundation of China (NSFC)[U2230122] ; National Natural Sci-ence foundation of China (NSFC)[U2067207] ; Shenzhen Science and Technology Program[KQTD20190929173954826] ; Research Foundation-Flanders (FWO)
WOS研究方向Materials Science ; Physics
语种英语
WOS记录号WOS:001309690600003
出版者AMER PHYSICAL SOC
资助机构National Natural Sci-ence foundation of China (NSFC) ; Shenzhen Science and Technology Program ; Research Foundation-Flanders (FWO)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/135206]  
专题中国科学院合肥物质科学研究院
通讯作者Xu, Wen
作者单位1.Micro Opt Instruments Inc, Shenzhen 518118, Peoples R China
2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China
3.Yunnan Univ, Sch Phys & Astron, Kunming 650091, Peoples R China
4.Yunnan Univ, Yunnan Key Lab Quantum Informat, Kunming 650091, Peoples R China
5.Univ Antwerp, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium
6.Univ Sci & Technol China, Hefei 230026, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Heng,Xu, Wen,Xiao, Yiming,et al. Electronic band structure of high-symmetry homobilayers of transition metal dichalcogenides[J]. PHYSICAL REVIEW B,2024,110.
APA Zhang, Heng,Xu, Wen,Xiao, Yiming,Peeters, Francois M.,&Milosevic, Milorad V..(2024).Electronic band structure of high-symmetry homobilayers of transition metal dichalcogenides.PHYSICAL REVIEW B,110.
MLA Zhang, Heng,et al."Electronic band structure of high-symmetry homobilayers of transition metal dichalcogenides".PHYSICAL REVIEW B 110(2024).

入库方式： OAI收割

来源：合肥物质科学研究院

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