• 文献标题:   Carbon sp chains in graphene nanoholes
  • 文献类型:   Article
  • 作  者:   CASTELLI IE, FERRI N, ONIDA G, MANINI N
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Tech Univ Denmark
  • 被引频次:   14
  • DOI:   10.1088/0953-8984/24/10/104019
  • 出版年:   2012

▎ 摘  要

Nowadays sp carbon chains terminated by graphene or graphitic-like carbon are synthesized routinely in several nanotech labs. We propose an ab initio study of such carbon-only materials, by computing their structure and stability, as well as their electronic, vibrational and magnetic properties. We adopt a fair compromise of microscopic realism with a certain level of idealization in the model configurations, and predict a number of properties susceptible to comparison with experiment.