• 文献标题:   Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene
  • 文献类型:   Article
  • 作  者:   NOVKO D, SUNJIC M, DESPOJA V
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Donostia Int Phys Ctr
  • 被引频次:   24
  • DOI:   10.1103/PhysRevB.93.125413
  • 出版年:   2016

▎ 摘  要

This paper gives a theoretical formulation of the electromagnetic response of the quasi-two-dimensional crystals suitable for investigation of optical activity and polariton modes. The response to external electromagnetic field is described by current-current response tensor Pi(mu nu). calculated by solving the Dyson equation in the random phase approximation, where current-current interaction is mediated by the photon propagator D-mu nu. The irreducible current-current response tensor Pi(0)(mu nu). is calculated from the ab initio Kohn-Sham orbitals. The accuracy of Pi(0)(mu nu). is tested in the long-wavelength limit where it gives correct Drude dielectric function and conductivity. The theory is applied to the calculation of optical absorption and conductivity in pristine and doped single-layer graphene and successfully compared with previous calculations and measurements.