|Properties of monolayer black phosphorus affected by uniaxial strain|
|Xu, Yan; Wang, Jie; Liu, GP(刘贵鹏); Zhao, Guijuan; Tian, Yonghui; Yang, Jianhong|
|Source Publication||Physica E: Low-Dimensional Systems and Nanostructures
|Abstract||First-principles methods including density functional theory and hybrid functional is used to survey the properties of monolayer black phosphorus affected by uniaxial strain. Based on structural properties, band structure, and the density of states, the strained monolayer black phosphorus is analyzed detailedly. We discuss the uniaxial strain from −10% compressive strain to 10% tensile strain and find it has a significant impact on black phosphorus properties. The changes of structural properties indicate the close dependence of bond angle and bond length. The band structure of monolayer black phosphorus could be modulated by the applied strain. Especially, direct-indirect-direct-indirect transition is found while the compressive strain applied on armchair direction. Furthermore, the density of states of strained monolayer BP has been analyzed. The reason that the electronic band structure change induced by strain is explained.|
© 2019 Elsevier B.V.
|Keyword||Monolayer black phosphorus
Direct-indirect bandgap transition
Density of states
|Funding Project||Natural Science Foundation of Gansu Province[18JR3RA285]
; National Natural Science Foundation of China
|WOS Research Area||Science & Technology - Other Topics
|WOS Subject||Nanoscience & Nanotechnology
; Physics, Condensed Matter
|EI Accession Number||20194807740500
|EI Keywords||Band structure
; Bond length
; Density functional theory
; Tensile strain
|EI Classification Number||Structural Design:408
; Chemical Products Generally:804
; Classical Physics; Quantum Theory; Relativity:931
; Solid State Physics:933
; Materials Science:951
|Original Document Type||Journal article (JA)
|Corresponding Author||Yang, Jianhong|
|Affiliation||School of Physical Science and Technology, Lanzhou University, Lanzhou; Gansu; 730000, China|
|First Author Affilication||Lanzhou University
|Corresponding Author Affilication||Lanzhou University
Xu, Yan,Wang, Jie,Liu, Guipeng,et al. Properties of monolayer black phosphorus affected by uniaxial strain[J].
Physica E: Low-Dimensional Systems and Nanostructures,2020,117.
Xu, Yan,Wang, Jie,Liu, Guipeng,Zhao, Guijuan,Tian, Yonghui,&Yang, Jianhong.(2020).Properties of monolayer black phosphorus affected by uniaxial strain.Physica E: Low-Dimensional Systems and Nanostructures,117.
Xu, Yan,et al."Properties of monolayer black phosphorus affected by uniaxial strain".Physica E: Low-Dimensional Systems and Nanostructures 117(2020).
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