• 文献标题:   Inadequacy of the extrapolation-length method for modeling the interface of a ferroelectric-graphene heterostructure
  • 文献类型:   Article
  • 作  者:   RICHMAN MS, LI XP, CARUSO AN
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   Univ Missouri
  • 被引频次:   0
  • DOI:   10.1063/1.5085385
  • 出版年:   2019

▎ 摘  要

To study a ferroelectric-graphene heterostructure, we employ Ginzburg-Landau-Devonshire theory in conjunction with Kretschmer and Binder's extrapolation-length method for modeling interface lattice relaxation. We rigorously justify a selection of model parameters that we use to predict the properties of a system consisting of the ferroelectric lithium niobate (LiNbO3) (0001) sandwiched between graphene monolayers. By comparing our results to those from first-principles density-functional theory calculations performed by Baeumer et al. [Nat. Commun. 6, 6136 (2015)] for the equivalent system, we demonstrate the inadequacy of the extrapolation-length method for modeling this system. We discuss the relevance of our work to predicting electrical gating.