Second Harmonic Generation and Hyperpolarizabilities of the Double-Cubane Compound [Sb(7)S(8)Br(2)](AlCl(4))(3): Chalcogenide in Ionic Liquids

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F11%3A43881883" target="_blank" >RIV/60076658:12640/11:43881883 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/jp2038027" target="_blank" >http://dx.doi.org/10.1021/jp2038027</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp2038027" target="_blank" >10.1021/jp2038027</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Second Harmonic Generation and Hyperpolarizabilities of the Double-Cubane Compound [Sb(7)S(8)Br(2)](AlCl(4))(3): Chalcogenide in Ionic Liquids

Popis výsledku v původním jazyce

Because noncentrosymmetric [Sb(7)S(8)Br(2)](AlCl(4))(3) single crystals possess a wide optical transparency region, it is a promising material for nonlinear optical applications. We have calculated the dispersion of linear and nonlinear optical susceptibilities including optical second harmonic generation (SHG) using a relaxed geometry. We find that the fundamental optical absorption edge situated at about 2.03 eV is in excellent agreement with the experimental data. Calculations of epsilon(xx)(2)(omega), epsilon(yy)(2)(omega), and epsilon(zz)(2)(omega) tensor components of the frequency-dependent dielectric function are presented. The single crystal possesses a considerable anisotropy of linear optical susceptibilities, which usually favors an enhanced phase matching conditions necessary to observe SHG and optical parametric oscillator (OPO) effects. Our calculations show that, in [Sb(7)S(8)Br(2)](AlCl(4))3, vertical bar chi((2))(123)(omega)vertical bar is the principal tensor compone

Název v anglickém jazyce

Second Harmonic Generation and Hyperpolarizabilities of the Double-Cubane Compound [Sb(7)S(8)Br(2)](AlCl(4))(3): Chalcogenide in Ionic Liquids

Popis výsledku anglicky

Because noncentrosymmetric [Sb(7)S(8)Br(2)](AlCl(4))(3) single crystals possess a wide optical transparency region, it is a promising material for nonlinear optical applications. We have calculated the dispersion of linear and nonlinear optical susceptibilities including optical second harmonic generation (SHG) using a relaxed geometry. We find that the fundamental optical absorption edge situated at about 2.03 eV is in excellent agreement with the experimental data. Calculations of epsilon(xx)(2)(omega), epsilon(yy)(2)(omega), and epsilon(zz)(2)(omega) tensor components of the frequency-dependent dielectric function are presented. The single crystal possesses a considerable anisotropy of linear optical susceptibilities, which usually favors an enhanced phase matching conditions necessary to observe SHG and optical parametric oscillator (OPO) effects. Our calculations show that, in [Sb(7)S(8)Br(2)](AlCl(4))3, vertical bar chi((2))(123)(omega)vertical bar is the principal tensor compone

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

—

Svazek periodika

115

Číslo periodika v rámci svazku

41

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

11763-11769

Kód UT WoS článku

000295700700001

EID výsledku v databázi Scopus

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