兰州大学机构库 >物理科学与技术学院
Properties of monolayer black phosphorus affected by uniaxial strain
Xu, Yan; Wang, Jie; Liu, GP(刘贵鹏); Zhao, Guijuan; Tian, Yonghui; Yang, Jianhong
2020
Source PublicationPhysica E: Low-Dimensional Systems and Nanostructures
ISSN1386-9477
Volume117
AbstractFirst-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.
KeywordMonolayer black phosphorus Uniaxial strain Structural properties Band structure Direct-indirect bandgap transition Density of states
DOI10.1016/j.physe.2019.113834
Indexed BySCIE ; EI
Language英语
Funding ProjectNatural Science Foundation of Gansu Province[18JR3RA285] ; National Natural Science Foundation of China[61404132]
WOS Research AreaScience & Technology - Other Topics ; Physics
WOS SubjectNanoscience & Nanotechnology ; Physics, Condensed Matter
WOS IDWOS:000504664500040
PublisherElsevier B.V.
EI Accession Number20194807740500
EI KeywordsBand structure ; Bond length ; Density functional theory ; Monolayers ; Phosphorus ; Tensile strain
EI Classification NumberStructural Design:408 ; Chemical Products Generally:804 ; Classical Physics; Quantum Theory; Relativity:931 ; Solid State Physics:933 ; Materials Science:951
Original Document TypeJournal article (JA)
Citation statistics
Document Type期刊论文
Identifierhttp://ir.lzu.edu.cn/handle/262010/419188
Collection物理科学与技术学院
Corresponding AuthorYang, Jianhong
AffiliationSchool of Physical Science and Technology, Lanzhou University, Lanzhou; Gansu; 730000, China
First Author AffilicationLanzhou University
Corresponding Author AffilicationLanzhou University
Recommended Citation
GB/T 7714
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.
APA 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.
MLA 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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