Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43921997" target="_blank" >RIV/49777513:23640/14:43921997 - 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

Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds.

Popis výsledku v původním jazyce

The complex density functional theory (DFT) calculations of linear and nonlinear optical susceptibilities for the Ag3PS4 and Ag5PS4Cl2 compounds have been reported, using the full potential linearized augmented plane wave (FP-LAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA-PBE). In additional the Engel- Vosko generalized gradient approximation (EVGGA) formalism, which optimizes the corresponding potential for the spectral features of the linear and nonlinear optical susceptibilities, was employed. We have calculated the frequency-dependent complex epsilon(omega), its zero-frequency limit epsilon1(omega), refractive index n(omega), the reflectivity R(omega) and electron energy loss function L(omega). Calculations are also reported for the frequency-dependent complex second-order nonlinear optical susceptibilities. We find opposite signs of the contributions of the 2(omega) and 1(omega) inter/intra-band to the imaginary part f

Název v anglickém jazyce

Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds.

Popis výsledku anglicky

The complex density functional theory (DFT) calculations of linear and nonlinear optical susceptibilities for the Ag3PS4 and Ag5PS4Cl2 compounds have been reported, using the full potential linearized augmented plane wave (FP-LAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA-PBE). In additional the Engel- Vosko generalized gradient approximation (EVGGA) formalism, which optimizes the corresponding potential for the spectral features of the linear and nonlinear optical susceptibilities, was employed. We have calculated the frequency-dependent complex epsilon(omega), its zero-frequency limit epsilon1(omega), refractive index n(omega), the reflectivity R(omega) and electron energy loss function L(omega). Calculations are also reported for the frequency-dependent complex second-order nonlinear optical susceptibilities. We find opposite signs of the contributions of the 2(omega) and 1(omega) inter/intra-band to the imaginary part f

Druh

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

CEP obor

BE - Teoretická fyzika

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centrum nových technologií a materiálů (CENTEM)</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

International Journal of Engineering Research & Technology

ISSN

2278-0181

e-ISSN

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Svazek periodika

3

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

IN - Indická republika

Počet stran výsledku

7

Strana od-do

564-570

Kód UT WoS článku

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EID výsledku v databázi Scopus

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