• 文献标题:   The phonon transport properties in cubic graphene with entirely sp(2) hybridization state
  • 文献类型:   Article
  • 作  者:   ZHOU JH, LI DH
  • 作者关键词:   cubic graphene, phonon transport, thermal conductivity, first principles calculation
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1016/j.physleta.2021.127410 EA MAY 2021
  • 出版年:   2021

▎ 摘  要

Cubic graphene is an intrinsic semiconductor with hollow geometric structure and entirely sp(2) hybridization state. In this paper, using first principles calculations, we investigate the phonon transport properties of this novel carbon allotrope. The calculations show that at room temperature the thermal conductivity of cubic graphene is approximately 266.17 W/mK, which is obviously lower than that of diamond with fully sp(3) hybridization state (2033 W/mK). Such low thermal conductivity mainly originated from the distorted sp(2) bond and complex structure which give rise to the flatted and mixed phonon branches as well as strong phonon anharmonicity. Meanwhile, to provide detectable structure fingerprints for experiment, the Raman spectrum and vibrational features of Raman-active phonon modes are alsocalculated in this work. These results elucidate the intrinsic phonon transport properties of cubic graphene as compared with the case of diamond, and could underpin its potential applications in the field of thermal management. (C) 2021 Elsevier B.V. All rights reserved.