Electronic structure and optical properties of BiSI crystal

Electronic structure and optical properties of BiSI crystal were investigated by the full potential linearized augmented plane wave (FL-LAPW) method with density functional theory (DFT). The complex dielectric function and optical constants, such as optical absorption coefficient, refractive index,...

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Bibliographic Details
Published in:The Journal of physics and chemistry of solids 2010-06, Vol.71 (6), p.884-891
Main Authors: Audzijonis, A., Žaltauskas, R., Sereika, R., Žigas, L., Rėza, A.
Format: Article
Language:English
Subjects:
A. Semiconductors
B. Crystal growth
C. Ab initio calculations
Coefficients
Constants
Crystal structure
D. Dielectric properties
Electronic structure
Ellipsometry
Optical properties
Plane waves
Spectra
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Summary:Electronic structure and optical properties of BiSI crystal were investigated by the full potential linearized augmented plane wave (FL-LAPW) method with density functional theory (DFT). The complex dielectric function and optical constants, such as optical absorption coefficient, refractive index, extinction coefficient, energy-loss spectrum and reflectivity, were calculated. The optical properties of BiSI crystal were studied experimentally by spectroscopic ellipsometry. The experimental results were compared with the theoretical spectra of complex dielectric functions and with the spectra of a pseudo-dielectric function (PDF). This method shows that experimental spectra consist of four Laurence lines sum.
ISSN:0022-3697
1879-2553
DOI:10.1016/j.jpcs.2010.03.042