Electronic Properties of WS₂/WSe₂ Heterostructure Containing Te Impurity: The Role of Substituting Position

Abstract

An impact of positions of Te atoms substituting W atoms in two-dimensional WS2/WSe2 heterostructures on their electronic properties is investigated by theoretical simulation. The substitution of W by Te tends to reduce the energy band gap and can lead to metallic properties depending on the impurity position and concentration.

Heterostructures of two-dimensional transition metal dichalcogenides: Formation, ab initio modelling and possible applications

“…Te atoms both in WS2 and WSe2 layers reduce the gap, while the structure still exhibits semiconductor behavior. Te atoms in W sites in WSe2 layer produce new states at the Fermi level giving rise to metallic properties [32].…”