• 文献标题:   Inducing a Finite In-Plane Piezoelectricity in Graphene with Low Concentration of Inversion Symmetry-Breaking Defects
  • 文献类型:   Article
  • 作  者:   ELKELANY KE, CARBONNIERE P, ERBA A, RERAT M
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Univ Pau Pays Adour
  • 被引频次:   10
  • DOI:   10.1021/acs.jpcc.5b01471
  • 出版年:   2015

▎ 摘  要

We show that a finite in-plane piezoelectricity can be induced in graphene by breaking its inversion center with any in-plane defect, in the limit of vanishing defect concentration. We first consider different patterns of BN-doped graphene sheets of D-3h symmetry, whose electronic and piezoelectric (dominated by the electronic rather than nuclear term) properties are characterized at the ab initio level of theory. We then consider other in-plane defects, such as holes of D-3h or C-2v point symmetry, and confirm that a common limit value (for low defect concentration) of the piezoelectric response of graphene is obtained regardless of the particular chemical or physical nature of the defects (e(11) approximate to 4.5 x 10(-10) C/m and d(11) approximate to 1.5 pm/V for direct and converse piezoelectricity, respectively). This in-plane piezoelectric response of graphene is one-order of magnitude larger than the out-of-plane previously investigated one.