Local-field and excitonic effects in the optical response of α-alumina
(2011) Physical review. B, Condensed matter and materials physics — Vol. 83, n° 19 (2011)
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- Abstract
- This paper introduces key ingredients of the dielectric response of α-alumina that go beyond an independent-particle (IP) treatment of the valence-electron excitations. The optical-response functions were calculated from first- principles both at the Bethe-Salpeter and the random-phase approximation (RPA) levels. Excitonic effects obtained within the Bethe-Salpeter framework were found essential for reproducing the low-energy part of the experimental spectra (below 15 eV) and the bound exciton in particular. For higher energies, local-field effects introduced through the RPA modified considerably the IP results and provided a satisfactory account of the reflectivity spectra and of the position and shape of the dominant bulk plasmon resonance in the electron energy-loss spectra. © 2011 American Physical Society.
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Marinopoulos, A. G., & Grüning, M. (2011). Local-field and excitonic effects in the optical response of α-alumina. Physical review. B, Condensed matter and materials physics, 83(19). https://doi.org/10.1103/PhysRevB.83.195129 (Original work published 2011)