Kinetic mechanism for reversible structural transition in MoTe2 induced by excess charge carriers

Kinetic of a reversible structural transition between insulating (2H) and metallic (1T′) phases in a monolayer MoTe2 due to an electrostatic doping is studied using first-principle calculations. The driving force for the structural transition is the energy gained by transferring excess electrons from the bottom of the conduction band to lower energy gapless states in the metallic phase as have been noticed in earlier studies. The corresponding …