Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene (CROSBI ID 234148)
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Novko, Dino ; Šunjić, Marijan ; Despoja Vito
engleski
Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene
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 μν calculated by solving the Dyson equation in the random phase approximation, where current-current interaction is mediated by the photon propagator Dμν . The irreducible current-current response tensor 0 is calculated from the ab initio Kohn-Sham orbitals. The accuracy of 0 is μν μν 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.
Polaritons ; optical absorption ; graphene
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