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Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase

文献类型：期刊论文

作者Pan, Douxing1,2,3,4; Pan DX(潘斗兴)
刊名JOURNAL OF APPLIED PHYSICS
出版日期2021-02-07
卷号129期号:5页码:12
ISSN号0021-8979
DOI10.1063/5.0039736
通讯作者Pan, Douxing(pandx@lnm.imech.ac.cn)
英文摘要It 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.
WOS关键词BLACK PHOSPHORUS ; GRAPHENE
资助项目National 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]
WOS研究方向Physics
语种英语
WOS记录号WOS:000617504900001
资助机构National 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
源URL[http://dspace.imech.ac.cn/handle/311007/86124]  
专题力学研究所_非线性力学国家重点实验室
通讯作者Pan, Douxing
作者单位1.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Nanosci & Technol, Beijing 100049, Peoples R China
3.Chinese Acad Sci, Beijing Inst Nanoenergy & Nanosyst, Beijing 101400, Peoples R China
4.Univ Sci & Technol Beijing, Sch Math & Phys, Beijing 100083, Peoples R China
推荐引用方式
GB/T 7714		 Pan, Douxing,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 Pan, Douxing,&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 Pan, Douxing,et al."Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase".JOURNAL OF APPLIED PHYSICS 129.5(2021):12.

入库方式： OAI收割

来源：力学研究所

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