Acentric Nonlinear Optical 2,4-Dihydroxyl Hydrazone Isomorphic Crystals with Large Linear, Nonlinear Optical Susceptibilities and Hyperpolarizability

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F12%3A43884010" target="_blank" >RIV/60076658:12520/12:43884010 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp3003036" target="_blank" >http://dx.doi.org/10.1021/jp3003036</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp3003036" target="_blank" >10.1021/jp3003036</a>

Result language
angličtina
Original language name
Acentric Nonlinear Optical 2,4-Dihydroxyl Hydrazone Isomorphic Crystals with Large Linear, Nonlinear Optical Susceptibilities and Hyperpolarizability
Original language description
A systematic ab initio study of the linear, nonlinear optical susceptibilities, and hyperpolarizability of noncentrosymmetric-monoclinic 2,4-dihydroxyl hydrazone isomorphic crystals (DHNPH) within density functional theory in the local density approximation (LDA), general gradient approximation (GGA), the Engel-Vosko generalized gradient approximation (EV-GGA) and modified Becke-Johnson potential (mBJ) has been performed. The complex dielectric susceptibility dispersion, its zero-frequency limit and thebirefringence are studied. Using scissors' corrected mBJ we find a large uniaxial dielectric anisotropy (-0.56) resulting in a significant birefringence (0.61). We also find that 2,4- DHNPH possess large second harmonic generation. The calculated secondorder susceptibility tensor components for the static limit vertical bar chi((2))(111)(0)vertical bar and vertical bar chi((2))(111)(omega)vertical bar at lambda=1.9 mu m (0.651 eV) and at lambda = 1.064 mu m (1.165 eV) are 53, 91, and 2
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BH - Optics, masers and lasers
OECD FORD branch
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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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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