IMECH-IR  > 非线性力学国家重点实验室
Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase
Pan DX(潘斗兴)1,2,3,4
Corresponding AuthorPan, Douxing(pandx@lnm.imech.ac.cn)
Source PublicationJOURNAL OF APPLIED PHYSICS
2021-02-07
Volume129Issue:5Pages:12
ISSN0021-8979
AbstractIt is reported for the electronic properties of an in-plane twisted bilayer phosphorene, known as the 2O-t alpha P phase, and the only dynamically stable phase beyond the AB stacking. This was achieved using first-principles calculations, a generalized empirical tight-binding model inclusive of electric field effects, and a two-parameter low energy effective model, the latter two providing an efficient scheme for nanoelectronics related applications. The tight-binding model reproduces a global fit to the first-principles dispersion, and the low energy model provides more accurate near-gap bands. Both are orders-of-magnitude faster and less memory-intensive than performing first-principles calculations. The twisted 2O-t alpha P structure possesses a direct bandgap of 1.27eV, larger than that of the shifted AB structure (1.03eV). The hole and electron polar effective mass anisotropy ratios are 27.34 and 1.95, respectively. An important observation is that the layer twisting results in the removal of Dirac cones as a reflection of a different band topology compared to the AB one, while the twofold degeneracy at the Brillouin zone boundary and the symmetry of the energy surface are both broken by an external vertical electric field. With an increasing electric field strength, a decreasing bandgap and an increasing energy difference between the valence band maximum and the twisted band point are both predicted by the tight-binding model and the low energy model.
DOI10.1063/5.0039736
Indexed BySCI ; EI
Language英语
WOS IDWOS:000617504900001
WOS KeywordBLACK PHOSPHORUS ; GRAPHENE
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
Funding ProjectNational Natural Science Foundation for the Youth (NSFY) of China[11802306] ; Strategic Priority Research Program of Chinese Academy of Sciences[XDB30000000] ; National Natural Science Foundation for the General Program (NSFG) of China[11734003] ; National Natural Science Foundation for the General Program (NSFG) of China[11872105] ; National Natural Science Foundation for the General Program (NSFG) of China[11911530176] ; National Key R&D Program of China[2016YFA0300600] ; National Key R&D Program of China[2017YFB0701600]
Funding OrganizationNational Natural Science Foundation for the Youth (NSFY) of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; National Natural Science Foundation for the General Program (NSFG) of China ; National Key R&D Program of China
Classification二类
Ranking1
ContributorPan, Douxing
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/86125
Collection非线性力学国家重点实验室
Affiliation1.Univ Sci & Technol Beijing, Sch Math & Phys, Beijing 100083, Peoples R China;
2.Chinese Acad Sci, Beijing Inst Nanoenergy & Nanosyst, Beijing 101400, Peoples R China;
3.Univ Chinese Acad Sci, Sch Nanosci & Technol, Beijing 100049, Peoples R China;
4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Pan DX. Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase[J]. JOURNAL OF APPLIED PHYSICS,2021,129(5):12.
APA 潘斗兴.(2021).Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase.JOURNAL OF APPLIED PHYSICS,129(5),12.
MLA 潘斗兴."Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase".JOURNAL OF APPLIED PHYSICS 129.5(2021):12.
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