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A Tight-Binding Model for Optical Properties of Porous Silicon

Published online by Cambridge University Press:  10 February 2011

M. Cruz ,
M. R. Beltran ,
C. Wang  and
J. Tagüeña-Martinez
M. Cruz
Affiliation:
Escuela Superior de Ingeniería Mecánica y Eléctrica - UC, IPN, México.
M. R. Beltran
Affiliation:
Instituto de Investigaciones en Materiales, UN AM, Apdo. Postal 70–360, 04510, D.F. México.
C. Wang
Affiliation:
Instituto de Investigaciones en Materiales, UN AM, Apdo. Postal 70–360, 04510, D.F. México.
J. Tagüeña-Martinez
Affiliation:
Centro de Investigación en Energía, UN AM, A.P. 34, C.P. 62580, Temixco, Mor., México.
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Abstract

Semi-empirical tight-binding techniques have been extensively used during the last six decades to study local and extended defects as well as aperiodic systems. In this work we propose a tight-binding model capable of describing optical properties of disordered porous materials in a novel way. Besides discussing the details of this approach, we apply it to study porous silicon (p-Si). For this purpose, we use an sp3s* basis set and supercells, where empty columns are digged in the [001] direction in crystalline silicon (c-Si). The disorder of the pores is considered through a random perturbative potential, which relaxes the wave vector selection rule, resulting in a significant enlargement of the optically active k-zone. The dielectric function and the light absorption spectra are calculated. The results are compared with experimental data showing a good agreement.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 491: Symposium R – Tight Binding Approach to Computational Materials Science , 1997 , 365
Copyright
Copyright © Materials Research Society 1998

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References

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