First-principles calculations of optical properties of GeC, SnC and GeSn under hydrostatic pressure

We present first-principles of the full-potential linearized augmented plane wave calculations of the effect of hydrostatic pressure on the optical properties of zinc-blende GeC, SnC and GeSn compounds. The refractive index and its variation with hydrostatic pressure are well described. An accurate...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2005-01, Vol.355 (1), p.392-400
Main Authors: Sahnoun, M., Khenata, R., Baltache, H., Rérat, M., Driz, M., Bouhafs, B., Abbar, B.
Format: Article
Language:English
Subjects:
Chemical Sciences
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Exact sciences and technology
FP-LAPW
GGA
LDA
Optical constant
Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation
Optical properties of bulk materials and thin films
or physical chemistry
Physics
Semiconductors
Theoretical and
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Summary:We present first-principles of the full-potential linearized augmented plane wave calculations of the effect of hydrostatic pressure on the optical properties of zinc-blende GeC, SnC and GeSn compounds. The refractive index and its variation with hydrostatic pressure are well described. An accurate calculation of linear optical functions (refraction index and its pressure derivative, and both imaginary and real parts of the dielectric function) is performed in the photon energy range up to 15 eV. The predicted optical constants agree well with the available experimental and theoretical ones.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2004.11.067