YAKOVKIN, IVAN N. - In: Surface Review and Letters (SRL) 21 (2014) 03, pp. 1450039-1
Electronic band structures and phonon bands of bulk, bilayer and monolayer MoS2 are studied by DFT and GW methods and discussed in the framework of applicability of the 2D model for layered systems. The MoS2 monolayer is found to be a direct gap semiconductor with the top of the valence band and...