• 文献标题:   Role of Dispersion Forces in the Structure of Graphene Monolayers on Ru Surfaces
  • 文献类型:   Article
  • 作  者:   STRADI D, BARJA S, DIAZ C, GARNICA M, BORCA B, HINAREJOS JJ, SANCHEZPORTAL D, ALCAMI M, ARNAU A, DE PARGA ALV, MIRANDA R, MARTIN F
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007 EI 1079-7114
  • 通讯作者地址:   Univ Autonoma Madrid
  • 被引频次:   109
  • DOI:   10.1103/PhysRevLett.106.186102
  • 出版年:   2011

▎ 摘  要

Elaborate density functional theory (DFT) calculations that include the effect of van der Waals (vdW) interactions have been carried out for graphene epitaxially grown on Ru(0001). The calculations predict a reduction of structural corrugation in the observed moire pattern of about 25% (similar to 0: 4 angstrom) with respect to DFT calculations without vdW corrections. The simulated STM topographies are close to the experimental ones in a wide range of bias voltage around the Fermi level.