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

doi:10.1063/5.0039736

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
通讯作者	Pan, Douxing(pandx@lnm.imech.ac.cn)
发表期刊	JOURNAL OF APPLIED PHYSICS
	2021-02-07
卷号	129 期号:5 页码:12
ISSN	0021-8979
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.
DOI	10.1063/5.0039736
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000617504900001
关键词[WOS]	BLACK PHOSPHORUS ; GRAPHENE
WOS研究方向	Physics
WOS类目	Physics, Applied
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]
项目资助者	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
论文分区	二类
力学所作者排名	1
RpAuthor	Pan, Douxing
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/86125
专题	非线性力学国家重点实验室
作者单位	1.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
推荐引用方式 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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