• 文献标题:   Effects of External Field and Nanoribbon Length on the Electronic Structure and Properties of Graphene Nanoribbons
  • 文献类型:   Article
  • 作  者:   SUN J, LIANG WZ
  • 作者关键词:   graphene nanoribbon, timedependent density functional theory, spin density, induce density, laser external field
  • 出版物名称:   ACTA PHYSICOCHIMICA SINICA
  • ISSN:   1000-6818
  • 通讯作者地址:   Anhui Univ
  • 被引频次:   2
  • DOI:   10.3866/PKU.WHXB201401141
  • 出版年:   2014

▎ 摘  要

We investigated the ground and excited state electronic properties of finite length zigzag graphene nanoribbons, using time-dependent density functional theory. The ground state of short graphene nanoribbons with eight Hatoms on their armchair edges (8-ZGNR) is diamagnetic, and antiferromagnetismcan be exhibited with increasing the length of nanoribbons. The antiferromagnetismand half-metallicity can also be shown when a static field is added. When a laser pulse is applied in the excited state, the induced electrons can move and change with the laser pulse. There exist some differences between alpha- and beta-spin electrons. alpha-Spin electrons can be induced, and show induced charge density more readily. beta-Spin electrons can escape the external field control, and show non-adiabatic properties more readily.