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Optical Absorption of Large Band-Gap Sbx Bi1-x I3 Alloys

Published online by Cambridge University Press:  11 February 2011

C. Persson ,
R. Ahuja ,
J. Souza de Almeida ,
B. Johansson ,
C. Y. An ,
F.A. Ferreira ,
N. Souza Dantas ,
I. Pepe  and
A. Ferreira da Silva
C. Persson
Affiliation:
Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, SE-75121 Uppsala, Sweden
R. Ahuja
Affiliation:
Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, SE-75121 Uppsala, Sweden
J. Souza de Almeida
Affiliation:
Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, SE-75121 Uppsala, Sweden
B. Johansson
Affiliation:
Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, SE-75121 Uppsala, Sweden
C. Y. An
Affiliation:
Instituto Nacional de Pesquisas Espaciais, INPE/LAS - C.P.515, 12201–970 São José dos Campos, SP, Brazil
F.A. Ferreira
Affiliation:
Instituto Nacional de Pesquisas Espaciais, INPE/LAS - C.P.515, 12201–970 São José dos Campos, SP, Brazil
N. Souza Dantas
Affiliation:
Departamento de Ciências Exatas, Universidade Estadual de Feira de Santana, Br 116, Km 03, Campus Universitário, 44031–460 Feira de Santana, Ba, Brazil
I. Pepe
Affiliation:
Instituto de Física, Laboratório de Propriedades Ópticas, Universidade Federal da Bahia, Campus Universitário de Ondina, 40210–340 Salvador, Ba, Brazil
A. Ferreira da Silva
Affiliation:
Instituto de Física, Laboratório de Propriedades Ópticas, Universidade Federal da Bahia, Campus Universitário de Ondina, 40210–340 Salvador, Ba, Brazil
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Abstract

The optical properties of SbBiI3 alloys have been investigated experimentally by absorption measurements and theoretically by a full-potential augmented plane wave (FPLAPW) method within the generalized gradient approximation. The fundamental band-gap energy of these alloys changes from BiI3- to SbI3-like with increasing percentage of Sb content. The calculated band-gap energies as well as the optical absorption were found to be in a very good qualitatively agreement with the experimental results. We present calculated density-of-states as well as the dielectric functions for evaluation of future experiments.

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References

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