Linear and Nonlinear Optical Susceptibilities and the Hyperpolarizability of Borate LiBaB9O15 Single-Crystal: Theory and Experiment
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F13%3A00216343" target="_blank" >RIV/68407700:21220/13:00216343 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/60076658:12520/13:43885175
Výsledek na webu
<a href="http://dx.doi.org/10.1021/jp4077905" target="_blank" >http://dx.doi.org/10.1021/jp4077905</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp4077905" target="_blank" >10.1021/jp4077905</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Linear and Nonlinear Optical Susceptibilities and the Hyperpolarizability of Borate LiBaB9O15 Single-Crystal: Theory and Experiment
Popis výsledku v původním jazyce
The single-crystal borate LiBaB9O15 was synthesized by a high-temperature solution reaction and structurally determined by the single-crystal X-ray diffraction technique. It crystallizes in the noncentrosymmetric space group R3c and features a three-dimensional infinity3[B9O15]3? anionic framework, with infinite channels in which the Li+ and Ba2+ cations are located. The linear optical properties were investigated experimentally in terms of the absorption spectrum, which reveals an optical gap of 5.17 eV. In addition we have calculated the linear optical properties using state-of-the-art all-electron full potential linearized augmented plane wave method. The nonlinear optical susceptibilities, namely, the second harmonic generation and the hyperpolarizability of the single-crystal borate LiBaB9O15 are calculated and evaluated at a static limit and at ? = 1064 nm. The calculation shows there exists three second-order nonlinear optical susceptiblities tensors components. We present measu
Název v anglickém jazyce
Linear and Nonlinear Optical Susceptibilities and the Hyperpolarizability of Borate LiBaB9O15 Single-Crystal: Theory and Experiment
Popis výsledku anglicky
The single-crystal borate LiBaB9O15 was synthesized by a high-temperature solution reaction and structurally determined by the single-crystal X-ray diffraction technique. It crystallizes in the noncentrosymmetric space group R3c and features a three-dimensional infinity3[B9O15]3? anionic framework, with infinite channels in which the Li+ and Ba2+ cations are located. The linear optical properties were investigated experimentally in terms of the absorption spectrum, which reveals an optical gap of 5.17 eV. In addition we have calculated the linear optical properties using state-of-the-art all-electron full potential linearized augmented plane wave method. The nonlinear optical susceptibilities, namely, the second harmonic generation and the hyperpolarizability of the single-crystal borate LiBaB9O15 are calculated and evaluated at a static limit and at ? = 1064 nm. The calculation shows there exists three second-order nonlinear optical susceptiblities tensors components. We present measu
Klasifikace
Druh
J<sub>x</sub> - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CEP obor
CF - Fyzikální chemie a teoretická chemie
OECD FORD obor
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Návaznosti výsledku
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
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2013
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
The Journal of Physical Chemistry B
ISSN
1520-6106
e-ISSN
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Svazek periodika
2013
Číslo periodika v rámci svazku
117
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
10
Strana od-do
14141-14150
Kód UT WoS článku
000327111200023
EID výsledku v databázi Scopus
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