• 文献标题:   Effect of random vacancies on the electronic properties of graphene and T graphene: a theoretical approach
  • 文献类型:   Article
  • 作  者:   SADHUKHAN B, NAYAK A, MOOKERJEE A
  • 作者关键词:   vacancie, disorder, electronic structure
  • 出版物名称:   INDIAN JOURNAL OF PHYSICS
  • ISSN:   0973-1458 EI 0974-9845
  • 通讯作者地址:   SN Bose Natl Ctr Basic Sci
  • 被引频次:   2
  • DOI:   10.1007/s12648-017-1067-2
  • 出版年:   2017

▎ 摘  要

In this communication we present together four distinct techniques for the study of electronic structure of solids: the tight-binding linear muffin-tin orbitals, the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from pi and pi* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, tau(q) over right arrow thorn of (q) over right arrow labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.