Calculated optical properties of GaX (X=P, As, Sb) under hydrostatic pressure

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F11%3A43881949" target="_blank" >RIV/60076658:12640/11:43881949 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s00339-011-6400-6" target="_blank" >http://dx.doi.org/10.1007/s00339-011-6400-6</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00339-011-6400-6" target="_blank" >10.1007/s00339-011-6400-6</a>

Result language
angličtina
Original language name
Calculated optical properties of GaX (X=P, As, Sb) under hydrostatic pressure
Original language description
The hydrostatic pressure dependence of the principal energy gaps and of the optical properties of GaX (X = P, As and Sb) has been calculated using the full potential-linearized augmented plane wave (FP-LAPW) method. The generalized gradient approximation(GGA) for the exchange and correlation potential is applied. Also, we have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band-structure and the optical properties calculations. Structural properties such as equilibrium lattice constants, the bulk modulus, and its pressure derivatives were calculated for GaP, GaAs, and GaSb in the zinc-blende structure (ZB). We have found that the results of the structural properties calculations are in agreement with those of ab initio and experimental data. In general, the pressure dependence of the principal energy gaps is compared to other values. The same is for the pressure coefficient. However, for the same structure, the comparison of our results with those
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
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Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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