First Principles Study on the Schottky Modulation of ZnSe/Graphene Heterojunction by External Electric Field
The stability of ZnSe/graphene heterojunction structure,interface interactions,interlayer charge transfer,Schottky contact type,and the influence of external electric field were studied in this paper by first principles plane wave ultra soft pseudo-potential method based on density functional theory.The results demonstrate that the heterojunction is easy to form because of its less lattice mismatch rate(below 5％),and its contact type is an n-type Schottky contact.When a positive electric field is applied,the Schottky contact type undergoes a transition from n-type to p-type.Conversely,when a negative electric field is applied,the Schottky barrier experiences a significant reduction and transforms from an n-type Schottky barrier contact to an Ohmic contact.The research results in this article will offer valuable theoretical insights for the design and fabrication of electronic optical devices,including field-effect transistors and photodetectors.
Schottky barrierfirst principlesexternal electric fieldn-type Schottky contactp-type Schottky contact
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