Strong Second Harmonic Generation (SHG) Originating from Combined Second-Order Jahn-Teller (SOJT) Distortive Cations in a New Noncentrosymmetric Tellurite, InNb(TeO4)2.
Identifieur interne : 000040 ( Main/Exploration ); précédent : 000039; suivant : 000041Strong Second Harmonic Generation (SHG) Originating from Combined Second-Order Jahn-Teller (SOJT) Distortive Cations in a New Noncentrosymmetric Tellurite, InNb(TeO4)2.
Auteurs : RBID : pubmed:24806285Abstract
Pure polycrystalline bulk samples and single crystals of a novel polar noncentrosymmetric (NCS) indium niobium tellurium oxide, InNb(TeO4)2, have been synthesized through solid-state reactions with In2O3, Nb2O5, and TeO2. InNb(TeO4)2 exhibits a three-dimensional structural backbone consisting of layers of corner-shared InO6 octahedra, layers of corner-shared NbO6 octahedra, and chains of corner-shared TeO4 polyhedra. The infrared spectrum shows In-O, Nb-O, and Te-O vibrations, and the UV-vis diffuse reflectance spectrum shows a band gap of 3.5 eV for the reported material. Thermal analysis indicates that InNb(TeO4)2 is thermally stable to 740 °C. Powder second-order nonlinear optical (NLO) measurements reveal that InNb(TeO4)2 has a strong second harmonic generation (SHG) efficiency, 100 times that of α-SiO2. A detailed structural examination indicates that the strong SHG is due to the combined net polarization originating from the distorted environment of second-order Jahn-Teller (SOJT) cations such as Nb(5+) and Te(4+). Elemental analysis, the magnitude of distortion, and calculations of dipole moments for InNb(TeO4)2 are also presented.
DOI: 10.1021/ic5004337
PubMed: 24806285
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<author><name sortKey="Kim, Yeong Hun" uniqKey="Kim Y">Yeong Hun Kim</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Chung-Ang University , 84 Heukseok-ro, Dongjak-gu, Seoul 156-756, Korea.</nlm:affiliation>
<country xml:lang="fr">Corée du Sud</country>
<wicri:regionArea>Department of Chemistry, Chung-Ang University , 84 Heukseok-ro, Dongjak-gu, Seoul 156-756</wicri:regionArea>
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<author><name sortKey="Lee, Dong Woo" uniqKey="Lee D">Dong Woo Lee</name>
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<author><name sortKey="Ok, Kang Min" uniqKey="Ok K">Kang Min Ok</name>
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<front><div type="abstract" xml:lang="en">Pure polycrystalline bulk samples and single crystals of a novel polar noncentrosymmetric (NCS) indium niobium tellurium oxide, InNb(TeO4)2, have been synthesized through solid-state reactions with In2O3, Nb2O5, and TeO2. InNb(TeO4)2 exhibits a three-dimensional structural backbone consisting of layers of corner-shared InO6 octahedra, layers of corner-shared NbO6 octahedra, and chains of corner-shared TeO4 polyhedra. The infrared spectrum shows In-O, Nb-O, and Te-O vibrations, and the UV-vis diffuse reflectance spectrum shows a band gap of 3.5 eV for the reported material. Thermal analysis indicates that InNb(TeO4)2 is thermally stable to 740 °C. Powder second-order nonlinear optical (NLO) measurements reveal that InNb(TeO4)2 has a strong second harmonic generation (SHG) efficiency, 100 times that of α-SiO2. A detailed structural examination indicates that the strong SHG is due to the combined net polarization originating from the distorted environment of second-order Jahn-Teller (SOJT) cations such as Nb(5+) and Te(4+). Elemental analysis, the magnitude of distortion, and calculations of dipole moments for InNb(TeO4)2 are also presented.</div>
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<Title>Inorganic chemistry</Title>
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<Abstract><AbstractText NlmCategory="UNLABELLED">Pure polycrystalline bulk samples and single crystals of a novel polar noncentrosymmetric (NCS) indium niobium tellurium oxide, InNb(TeO4)2, have been synthesized through solid-state reactions with In2O3, Nb2O5, and TeO2. InNb(TeO4)2 exhibits a three-dimensional structural backbone consisting of layers of corner-shared InO6 octahedra, layers of corner-shared NbO6 octahedra, and chains of corner-shared TeO4 polyhedra. The infrared spectrum shows In-O, Nb-O, and Te-O vibrations, and the UV-vis diffuse reflectance spectrum shows a band gap of 3.5 eV for the reported material. Thermal analysis indicates that InNb(TeO4)2 is thermally stable to 740 °C. Powder second-order nonlinear optical (NLO) measurements reveal that InNb(TeO4)2 has a strong second harmonic generation (SHG) efficiency, 100 times that of α-SiO2. A detailed structural examination indicates that the strong SHG is due to the combined net polarization originating from the distorted environment of second-order Jahn-Teller (SOJT) cations such as Nb(5+) and Te(4+). Elemental analysis, the magnitude of distortion, and calculations of dipole moments for InNb(TeO4)2 are also presented.</AbstractText>
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