凝聚态物理
磁性
单层
密度泛函理论
材料科学
金属-绝缘体过渡
绝缘体(电)
相变
过渡金属
金属
拉伤
相(物质)
纳米技术
复合材料
计算化学
化学
冶金
物理
催化作用
有机化学
生物化学
内科学
医学
作者
Min Kan,Bo Wang,Young Hee Lee,Qiang Sun
出处
期刊:Nano Research
[Springer Nature]
日期:2015-04-01
卷期号:8 (4): 1348-1356
被引量:88
标识
DOI:10.1007/s12274-014-0626-5
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.
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