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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

—

Návaznosti

N - Vyzkumna aktivita podporovana z neverejnych zdroju

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Applied Physics A - Materials Science and Processing

ISSN

0947-8396

e-ISSN

—

Svazek periodika

104

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

1159-1167

Kód UT WoS článku

000293972100023

EID výsledku v databázi Scopus

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