@article{Kan2015, 
author = {Min Kan and Bo Wang and Young Hee Lee and Qiang Sun},
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},
year = {2015},
journal = {Nano Research},
volume = {8},
number = {4},
pages = {1348-1356},
keywords = {phase transition, density functional theory (DFT), biaxial strain, phase diagram, transition metal dichalcogenide (TMD) materials},
url = {https://www.sciopen.com/article/10.1007/s12274-014-0626-5},
doi = {10.1007/s12274-014-0626-5},
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.}
}