The optical properties and carrier mobility of MH (M = Co, Rh and Ir) monolayers.

A new series of two-dimensional transition metal hydrides MH (M = Co, Rh, Ir) are investigated using first principles calculations. Their electronic structures, phonon dispersion, optical absorptions, and carrier mobilities are obtained and discussed. Our results on the basis of the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional reveal that CoH, RhH and IrH are indirect semiconductors with band gaps of 2.

Magnetism arising from Mexican-hat-like band dispersion in the WSe/SnS heterostructure interlayer strain.

Mexican-hat-like band dispersion is extremely critical to the realization of hole-doping-induced magnetism in monolayer metal monochalcogenides. However, it is absent from transition-metal dichalcogenides (TMDCs), i.e.