• 文献标题:   Charge oscillations and interaction between potassium adatoms on graphene studied by first-principles calculations
  • 文献类型:   Article
  • 作  者:   LIU XJ, WANG CZ, LIN HQ, CHANG K, CHEN J, HO KM
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121 EI 1550-235X
  • 通讯作者地址:   Beijing Computat Sci Res Ctr
  • 被引频次:   8
  • DOI:   10.1103/PhysRevB.91.035415
  • 出版年:   2015

▎ 摘  要

Interaction between K adatoms on graphene is investigated by first-principles calculations based on density function theory and analytical analyses based on the k . p perturbation theory. The calculation shows that there is a strong repulsion between K adatoms. The main origin of this strong repulsion is not from the dipole-dipole interaction as suggested for K adatoms on graphite surface, but comes from the screened Coulomb interaction. Potassium adatom on graphene donates its s electron and becomes K+. The positively charged K adatom induces electron density oscillation on graphene which is responsible for the screened Coulomb repulsion between the K adatoms.