Strain-induced band structure and mobility modulation in graphitic blue phosphorus

被引：33

作者：

Liu, L. Z. ^{[1
,2
]}

Wu, X. L. ^{[1
,2
]}

Liu, X. X. ^{[1
,2
]}

Chu, Paul K. ^{[3
]}

机构：

[1] Inst Acoust, Natl Lab Solid State Microstruct, MOE, Key Lab Modern Acoust, Nanjing 210093, Jiangsu, Peoples R China

[2] Nanjing Univ, Dept Phys, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China

[3] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China

来源：

APPLIED SURFACE SCIENCE | 2015年 / 356卷

关键词：

Blue phosphorus; Electronic structure; First-principles calculation; Strain; TOTAL-ENERGY CALCULATIONS; CRYSTAL-STRUCTURE; BLACK PHOSPHORUS;

D O I：

10.1016/j.apsusc.2015.08.125

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The effects of external strain on the electronic structure and carrier mobility of graphitic blue phosphorus are investigated theoretically. Symmetry breaking induced by the in-plane strain not only modulates the band structure, but also changes the carrier population at the valence band maximum and conduction band minimum so that the transport current density can be regulated. Compressed deformation in the direction normal to the plane transforms the blue phosphorus into an in-plane structure and the superfluous electrons reduce the band gap giving rise to a semiconductor-metal transition. Our theoretical assessment reveals that strain engineering is a useful method to design electronic devices. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：626 / 630

页数：5

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