THE INFLUENCE OF DEFECTS ON THE ELECTRONIC PROPERTIES OF STRUCTURES OF LAYERED DICHALCOGENIDES OF REFRACTORY METALS

Abstract

Computer modeling of the electronic structure of heterostructures made of individual layers of two-dimensional crystals of MoS2, WS2, WSe2 and MoSe2 is performed by means of first-principles methods. Two variants of the mutual arrangement of the layers of two-dimensional crystals are suggested. Properties of such heterostructures in the presence of impurities and defects are investigated.

Keywords

• two-dimensional crystals
• dichalcogenides of refractory metals
• electronic structure
• substitutional impurity
• vacancy