Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene

Novko, Dino and Šunjić, Marijan and Despoja, Vito (2016) Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene. Physical Review B, 93 (12). pp. 125413-14. ISSN 1098-0121

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Abstract

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 Πμν 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 Π0μν is calculated from the ab initio Kohn-Sham orbitals. The accuracy of Π0μν 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.

Item Type: Article
Date: 8 March 2016
Subjects: NATURAL SCIENCES > Physics
Additional Information: ©2016 American Physical Society. Received 11 December 2015; revised manuscript received 5 February 2016; published 8 March 2016.
Divisions: Faculty of Science > Department of Physics
Publisher: American Physical Society
Depositing User: Gordana Stubičan Ladešić
Date Deposited: 21 Apr 2016 15:57
Last Modified: 29 Nov 2017 17:02
URI: http://digre.pmf.unizg.hr/id/eprint/4784

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