• 文献标题:   First-principles calculations and model analysis of plasmon excitations in graphene and graphene/hBN heterostructure
  • 文献类型:   Article
  • 作  者:   LI PF, REN XG, HE LX
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   1
  • DOI:   10.1103/PhysRevB.96.165417
  • 出版年:   2017

▎ 摘  要

Plasmon excitations in free-standing graphene and graphene/hexagonal boron nitride (hBN) heterostructure are studied using linear-response time-dependent density functional theory within the random phase approximation. Within a single theoretical framework, we examine both the plasmon dispersion behavior and lifetime (linewidth) of Dirac and pi plasmons on an equal footing. Particular attention is paid to the influence of the hBN substrate and the anisotropic effect. Furthermore, a model-based analysis indicates that the correct dispersion behavior of p plasmons should be omega(pi)(q) = root E-g(2) + beta q for small q's, where E-g is the band gap at the M point in the Brillouin zone, and beta is a fitting parameter. This model is radically different from previous proposals, but in good agreement with our calculated results from first principles.