A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain
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Title
- A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain
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Author(s)
- Min Kan; Wang B.; Young Hee Lee; Qiang Sun
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Subject
- phase transition, biaxial strain, phase diagram, density functional theory(DFT), transition metal dichalcogenide (TMD) materials
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Publication Date
- 2015-04
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Journal
- NANO RESEARCH, v.8, no.4, pp.1348 - 1356
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Publisher
- TSINGHUA UNIV PRESS
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Abstract
- 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.
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URI
- https://pr.ibs.re.kr/handle/8788114/1624
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DOI
- 10.1007/s12274-014-0626-5
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ISSN
- 1998-0124
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Appears in Collections:
- Center for Integrated Nanostructure Physics(나노구조물리 연구단) > 1. Journal Papers (저널논문)
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