Please use this identifier to cite or link to this item: http://ri.ufs.br/jspui/handle/riufs/641
Document Type: Artigo
Title: Structural, electronic, optical, and magneto-optical properties of Bi12MO20 (M5Ti, Ge, Si) sillenite crystals from first principles calculations
Authors: Lima, Adilmo Francisco de
Farias, Sérgio Antônio de Souza
Lalic, Milan
Issue Date: Oct-2011
Abstract: The structural, electronic, optical, and magneto-optical properties of the three Bi12MO20 sillenites (BMO; M = Ti, Ge, and Si) have been investigated on the basis of the first-principles calculations performed by the full potential augmented plane wave method. The BMO’s linear optical responses are found to be very similar, but their optical rotatory powers and Faraday ellipticities exhibit notable differences in both visible and ultraviolet parts of the spectra. These differences originate from the subtle differences within the BMO’s electronic structures, such as different band-gaps and different offsets of the valence band tops. The latter are found to be caused not by the influence of the M ion electronic states, but by particular behavior of the M–O and the Bi–O chemical bonds.
Keywords: Bi12MO20
Cristais
Propriedades magnéticas
Propriedades eletrônicas
Propriedades ópticas
ISSN: 1089-7550
Publisher / Institution : AIP Publishing
Citation: LIMA, A. F.; FARIAS, S. A. S.; LALIC, M. V. Structural, electronic, optical, and magneto-optical properties of Bi12MO20 (M = Ti, Ge, Si) sillenite crystals from first principles calculations. Journal of Applied Physics, New York, v. 110, n. 8, out. 2011. Disponível em: <http://dx.doi.org/10.1063/1.3652751>. Acesso em: 15 jul. 2013.
License: © 2011 American Institute of Physics
URI: http://jap.aip.org/resource/1/japiau/v110/i8/p083705_s1
https://ri.ufs.br/handle/riufs/641
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