• 文献标题:   Peierls instability and ferrimagnetic ordering of quasi-one-dimensional carbon chains generated in H-passivated graphene
  • 文献类型:   Article
  • 作  者:   KIM HJ, OH S, CHO JH
  • 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:   Hanyang Univ
  • 被引频次:   7
  • DOI:   10.1103/PhysRevB.83.235408
  • 出版年:   2011

▎ 摘  要

Using first-principle density-functional calculations, we investigate the competition between Peierls instability and spin ordering in a zigzag C chain generated in an H-passivated graphene. We find that such a quasi-one-dimensional (1D) C chain of infinite length stabilizes a Peierls instability showing bond alternation with a band-gap opening. As the chain length becomes finite, the Peierls distortion is enhanced at even-numbered chains, while a ferrimagnetic spin ordering with the atomic structure of a topological soliton is stabilized at odd-numbered chains. These results indicate the existence of complex interplay between electron-lattice and electron-electron interactions with respect to the parity of the quasi-1D C chains.