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	A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain
	Kan, Min ; Wang, Bo ; Lee, Young Hee ; Sun, Qiang
	2015
关键词	phase transition biaxial strain phase diagram density functional theory (DFT) transition metal dichalcogenide (TMD) materials MOS2 GRAPHENE FERROMAGNETISM DICHALCOGENIDES SE
英文摘要	We report a density functional theory study of a phase transition of a VS2 monolayer that can be tuned by the in-plane biaxial strain. This results in both a metal-insulator transition and a low spin-high spin magnetic transition. At low temperature, the semiconducting H-phase is stable and large strain (> 3%) is required to provoke the transition. On the other hand, at room temperature (300 K), only a small tensile strain of 2% is needed to induce the phase transition from the semiconducting H-phase to the metallic T-phase together with the magnetic transition from high spin to low spin. The phase diagram dependence on both strain and temperature is also discussed in order to provide a better understanding of the phase stability of VS2 monolayers.; National Natural Science Foundation of China [21173007, 11274023]; National Basic Research Program of China [2012CB921404]; Institute for Basic Science in Korea; SCI(E); 中国科学引文数据库(CSCD); ARTICLE; leeyoung@skku.edu; sunqiang@pku.edu.cn; 4; 1348-1356; 8
语种	英语
出处	CSCD ; SCI
出版者	NANO RESEARCH
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/414797]
专题	数学科学学院 工学院
推荐引用方式 GB/T 7714	Kan, Min,Wang, Bo,Lee, Young Hee,et al. A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain. 2015-01-01.

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