• 文献标题:   Ultrahigh carrier mobility of penta-graphene: A first-principle study
  • 文献类型:   Article
  • 作  者:   DEB J, SERIANI N, SARKAR U
  • 作者关键词:   density functional theory, pentagraphene, effective mas, deformational potential, elastic constant, charge carrier mobility
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:  
  • 被引频次:   40
  • DOI:   10.1016/j.physe.2020.114507
  • 出版年:   2021

▎ 摘  要

Within the formalism of density functional theory and using the concept of effective mass approximation, the electron-acoustic phonon scattering principle along with the deformation potential theory of Bardeen and Shockley, we have investigated the intrinsic charge carrier mobility of penta-graphene. The electron mobility of penta-graphene is significantly large compared to hole mobility and it is reasonably higher than other novel twodimensional materials e.g. penta-X2C (X = P, As, Sb), Si-based pentagonal monolayer (SiX, X = B, C, N), pentastanene monolayer and CaP3 which possess the highest carrier (electron) mobility among phosphorene derivatives. This high carrier mobility originates from the low effective mass, low deformation potential and high stiffness constant of this material. As our main focus is to investigate the carrier mobility which depends on band edges, a detailed study about orbital contribution to the electronic states in the vicinity of band edges has been carried out. The intrinsic wide band gap and ultrahigh carrier mobility show the possible signature of using it in the fabrication of microelectronic devices, mainly in FETs and logic circuits and in optoelectronic devices.