Research on the electronic structure of the interface between the LiNbO3 and the magic angle graphene electrode: first principle calculation

Yue Liu, Huachao Li, Yanshuai Li*, Wenlong Shang, Kun Ye, Wenjing Hou

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

In this paper, the interfacial electronic structures of the monolayer, bilayer, and magic-angle graphene/LiNbO3 heterostructures are calculated. The density, energy band, differential charge density, effective mass are calculated and analyzed for the model of structure. The results show that the interface material can adjust the state density, band width, electron concentration and effective mass of the electrons around the Fermi energy level. Therefore, we predict that this structure is feasible in principle for experimental preparation, and can improve the transfer efficiency of carrier, which can provide a high-speed carrier basis for the solar cells.

Original languageEnglish
Pages (from-to)160-171
Number of pages12
JournalFerroelectrics
Volume614
Issue number1
DOIs
Publication statusPublished - 2023
Externally publishedYes

Keywords

  • effective mass
  • ferroelectric photovoltaic
  • First principles
  • heterostructure
  • magic angle graphene

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