Bond relaxation and electronic properties of T type WTe${}_2$/MoS${}_2$ heterostructure using BOLS BB and BC model

Abstract

We combined the bond order length strength and bond charge models and the topological concept to obtain the nonbonding, bonding, and antibonding states of the T type WTe${}_2$/MoS${}_2$ heterostructure.The energy band projection method and electronic information entropy are remarkable approaches for analyzing the electronic properties of various structures based on DFT calculations. This study provides a new way to describe the electronic properties of T type heterostructures and calculate the electron and bonding state probabilities.

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