Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene
| Autor: | Marijan Šunjić, Vito Despoja, Dino Novko |
|---|---|
| Přispěvatelé: | Donostia International Physics Center |
| Rok vydání: | 2016 |
| Předmět: |
optical absorption
Photon Ab initio FOS: Physical sciences Physics::Optics 02 engineering and technology Conductivity 01 natural sciences Atomic orbital Polaritons graphene 0103 physical sciences Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Absorption (logic) Tensor 010306 general physics Physics Condensed Matter - Materials Science Condensed matter physics Condensed Matter - Mesoscale and Nanoscale Physics Propagator Materials Science (cond-mat.mtrl-sci) 021001 nanoscience & nanotechnology NATURAL SCIENCES. Physics PRIRODNE ZNANOSTI. Fizika 0210 nano-technology Random phase approximation polaritons |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname Physical Review B Volume 93 Issue 12 Digital.CSIC: Repositorio Institucional del CSIC Consejo Superior de Investigaciones Científicas (CSIC) |
| ISSN: | 2469-9950 2469-9969 |
| DOI: | 10.1103/PhysRevB.93.125413 |
| Popis: | 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. The authors are grateful to Donostia International Physics Center (DIPC) and P. M. Echenique for hospitality and financial support during various stages of this work. |
| Databáze: | OpenAIRE |
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