Bond relaxation and electronic properties of T type WTe$_2$/MoS$_2$ heterostructure using DFT calculation and BC model
2021
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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