Origin of the multiple charge density wave order in 1T-VSe2

doi:10.1103/PhysRevB.101.235405

	Origin of the multiple charge density wave order in 1T-VSe2
	Si, J. G.2,3; Lu, W. J.2; Wu, H. Y.4; Lv, H. Y.2; Liang, X.2,3; Li, Q. J.5; Sun, Y. P.1,2,6
刊名	PHYSICAL REVIEW B
	2020-06-01
卷号	101
ISSN号	2469-9950
DOI	10.1103/PhysRevB.101.235405
通讯作者	Lu, W. J.(wjlu@issp.ac.cn)
英文摘要	Transition-metal dichalcogenide 1T-VSe2 experimentally exhibits multiple charge density wave (CDW) orders, but its origin is still under debate. Using first-principles calculations, we investigate the origin of CDW orders in 1T-VSe2 and clarify the ground state of CDW in the freestanding monolayer. Our results show that both Fermi-surface nesting and electron-phonon coupling account for the 4 x 4 x 3 CDW superstructure in bulk 1T-VSe2, while the momentum-dependent electron-phonon coupling-induced root 7 x root 3 CDW superstructure is most stable in the freestanding monolayer 1T-VSe2. For monolayer 1T-VSe2, the substrate-induced compressive strain can turn the ground state into the 4 x 4 CDW superstructure, while tensile strain preserves the root 7 x root 3 superstructure. Our results demonstrate the origin of the CDW orders in 1T-VSe2 and shed light on the experimental observation of multiple CDW orders in monolayer 1T-VSe2.
资助项目	National Key R&D Program of China[2016YFA0300404] ; National Nature Science Foundation of China[11774351] ; National Nature Science Foundation of China[11704001] ; Open Project of State Key Laboratory of Superhard Materials, Jilin University[201902]
WOS关键词	DISPERSION
WOS研究方向	Materials Science ; Physics
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000537151200017
资助机构	National Key R&D Program of China ; National Nature Science Foundation of China ; Open Project of State Key Laboratory of Superhard Materials, Jilin University
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/103217]
专题	中国科学院合肥物质科学研究院
通讯作者	Lu, W. J.
作者单位	1.Nanjing Univ, Collaborat Innovat Ctr Microstruct, Nanjing 210093, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China 3.Univ Sci & Technol China, Hefei 230026, Peoples R China 4.Anhui Univ, Inst Phys Sci & Informat Technol, Hefei 230601, Peoples R China 5.Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China 6.Chinese Acad Sci, High Magnet Field Lab, Hefei 230031, Peoples R China
推荐引用方式 GB/T 7714	Si, J. G.,Lu, W. J.,Wu, H. Y.,et al. Origin of the multiple charge density wave order in 1T-VSe2[J]. PHYSICAL REVIEW B,2020,101.
APA	Si, J. G..,Lu, W. J..,Wu, H. Y..,Lv, H. Y..,Liang, X..,...&Sun, Y. P..(2020).Origin of the multiple charge density wave order in 1T-VSe2.PHYSICAL REVIEW B,101.
MLA	Si, J. G.,et al."Origin of the multiple charge density wave order in 1T-VSe2".PHYSICAL REVIEW B 101(2020).