Compressive strain induced dynamical stability of monolayer 1T-MX2 (M  =  Mo, W; X  =  S, Se)

The lattice dynamical properties of 1T-MX2 (M  =  Mo, W; X  =  S, Se) under different strains were studied by using density functional perturbation theory method. Our results show that all MX2 with 1T phase in our calculations are dynamical instable under zero strain or tensile strain as obvious ima...

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Veröffentlicht in:	Materials research express 2017-11, Vol.4 (11)
Hauptverfasser:	Li, Xiaoyong, Wu, Musheng, Xu, Bo, Liu, Ruifan, Ouyang, Chuying
Format:	Artikel
Sprache:	eng
Schlagworte:	density functional perturbation theory lattice dynamical property phonon strain transition metal dichalcogenides
Online-Zugang:	Volltext
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