Linear and Nonlinear Optical Susceptibilities and the Hyperpolarizability of Borate LiBaB9O15 Single-Crystal: Theory and Experiment
The result's identifiers
Result code in 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>
Alternative codes found
RIV/60076658:12520/13:43885175
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Linear and Nonlinear Optical Susceptibilities and the Hyperpolarizability of Borate LiBaB9O15 Single-Crystal: Theory and Experiment
Original language description
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
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
The Journal of Physical Chemistry B
ISSN
1520-6106
e-ISSN
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Volume of the periodical
2013
Issue of the periodical within the volume
117
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
14141-14150
UT code for WoS article
000327111200023
EID of the result in the Scopus database
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