První a druhá harmonická generace optických vnímavostí pro necentrosymetrický kosočtverečný AgCd2GaS4

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F08%3A00009379" target="_blank" >RIV/60076658:12640/08:00009379 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

First and second harmonic generation of the optical susceptibilities for the non-centro-symmetric orthorhombic AgCd2GaS4

Popis výsledku v původním jazyce

We present the results of an ab initio theoretical study of the linear and nonlinear optical susceptibilities for the AgCd2GaS4 using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K code. We have used theEngel-Vosko exchange-correlation potential which is based on the generalized gradient approximation. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap. We present calculations of the frequency- dependent complex dielectric function epsilon(omega). Our calculations show that the edge of the optical absorption for epsilon(xx)(2) (omega) and epsilon(zz)(2) (omega) are located around 2 eV. The linear optical properties show a strong negative uniaxial anisotropy. The optical properties are scissors corrected to match the calculated energy gap with the measured one. The optical properties are analyzed in terms of the calculated electronic structure

Název v anglickém jazyce

First and second harmonic generation of the optical susceptibilities for the non-centro-symmetric orthorhombic AgCd2GaS4

Popis výsledku anglicky

We present the results of an ab initio theoretical study of the linear and nonlinear optical susceptibilities for the AgCd2GaS4 using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K code. We have used theEngel-Vosko exchange-correlation potential which is based on the generalized gradient approximation. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap. We present calculations of the frequency- dependent complex dielectric function epsilon(omega). Our calculations show that the edge of the optical absorption for epsilon(xx)(2) (omega) and epsilon(zz)(2) (omega) are located around 2 eV. The linear optical properties show a strong negative uniaxial anisotropy. The optical properties are scissors corrected to match the calculated energy gap with the measured one. The optical properties are analyzed in terms of the calculated electronic structure

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2008

Kód důvěrnosti údajů

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

Název periodika

Journal of Physics-Condensed Matter

ISSN

0953-8984

e-ISSN

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Svazek periodika

20

Číslo periodika v rámci svazku

32

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

1

Strana od-do

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Kód UT WoS článku

000257841400041

EID výsledku v databázi Scopus

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