• 文献标题:   Electronic transport properties of hydrogenated and fluorinated graphene: a computational study
  • 文献类型:   Article
  • 作  者:   KHATAMI MM, GADDEMANE G, VAN DE PUT ML, MORAVVEJFARSHI MK, VANDENBERGHE WG
  • 作者关键词:   graphane, graphene fluoride, phonon scattering, electronic transport
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Tarbiat Modares Univ
  • 被引频次:   0
  • DOI:   10.1088/1361-648X/abb2f6
  • 出版年:   2020

▎ 摘  要

Hydrogenation and fluorination have been presented as two possible methods to open a bandgap in graphene, required for field-effect transistor applications. In this work, we present a detailed study of the phonon-limited mobility of electrons and holes in hydrogenated graphene (graphane) and fluorinated graphene (graphene fluoride). We pay special attention to the out-of-plane acoustic (ZA) phonons, responsible for the highest scattering rates in graphane and graphene fluoride. Considering the most adverse cut-off for long-wavelength ZA phonons, we have obtained electron (hole) mobilities of 28 (41) cm(2)V(-1)s(-1)for graphane and 96 (30) cm(2)V(-1)s(-1)for graphene fluoride. Nonetheless, for a more favorable cut-off wavelength of similar to 2.6 nm, significantly higher electron (hole) mobilities of 233 (389) cm(2)V(-1)s(-1)for graphane and 460 (105) cm(2)V(-1)s(-1)for graphene fluoride are achieved. Moreover, while complete suppression of ZA phonons can increase the electron (hole) mobility in graphane up to 278 (391) cm(2)V(-1)s(-1), it does not affect the carrier mobilities in graphene fluoride. Velocity-field characteristics reveal that the electron velocity in graphane saturates at an electric field of similar to 4 x 10(5)V cm(-1). Comparing the mobilities with other two-dimensional (2D) semiconductors, we find that hydrogenation and fluorination are two promising avenues to realize a 2D semiconductor while providing good carrier mobilities.