• 文献标题:   Contribution of pi-Bonds to Effective Charges, Cohesive Energy, and Force Constants of Graphene-Like Compounds
  • 文献类型:   Article
  • 作  者:   DAVYDOV SY
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   4
  • DOI:   10.1134/S1063783416020098
  • 出版年:   2016

▎ 摘  要

For 14 two-dimensional hexagonal compounds IV-IV and III-V, analytical expressions have been obtained using the Harrison bond-orbital method for the contribution from the pi-interaction to the polarity of interatomic bonds, the effective atomic and transverse dynamical charges and their dependences on the deformation, as well as to the binding energy, the cohesive energy, and the central and non-central force constants.