Origin of the strong optical nonlinearity of tellurium oxide–based compounds: The specific case of BaTe 2 O 6
| Autor: | J. Cornette, A. P. Mirgorodsky, A. Plat, Philippe Thomas, Olivier Masson, David Hamani, Maggy Colas |
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| Přispěvatelé: | Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM) |
| Rok vydání: | 2016 |
| Předmět: |
Crystal chemistry
Chemistry Mechanical Engineering Intermolecular force Metals and Alloys [CHIM.MATE]Chemical Sciences/Material chemistry 02 engineering and technology Crystal structure 021001 nanoscience & nanotechnology 01 natural sciences Bond length Crystallography Mechanics of Materials Polarizability Computational chemistry 0103 physical sciences Atom Materials Chemistry Tellurium oxide 010306 general physics 0210 nano-technology Single crystal |
| Zdroj: | Journal of Alloys and Compounds Journal of Alloys and Compounds, Elsevier, 2016, 661, pp.92-99. ⟨10.1016/j.jallcom.2015.11.160⟩ |
| ISSN: | 0925-8388 |
| DOI: | 10.1016/j.jallcom.2015.11.160 |
| Popis: | International audience; This paper is a contribution to the understanding of the crystal chemistry origin of the strong nonlinear optical properties of tellurium oxide-based compounds. The particular case of the BaTe2O6 (BaTeIVTeVIO6) phase has been investigated. The structure refinement using single crystal X-ray diffraction confirms that the TeIV atom is located in an unclassical TeO5 environment with one exceptionally short Te-O bond (1.82 Å) and four long ones (2.12 Å). The vibrational analysis points out that in this environment, from the spectrochemical point of view, the short bond is at the origin of a quasi-isolated TeIVO2+ molecular ion whereas the four longer bonds traduce weak interactions. Relationships have been established between the TeIV-O bond lengths and the khi(3) susceptibility. The four long bonds, belonging practically to the xz-plane and involving the TeIV d-orbitals contribution, are at the origin of the high khi(3) xxxx and khi(3) zzzz values (30.0 and 44.3x10-13 esu respectively). The short Te- O bond, directed along the y-direction, is responsible for the lower khi(3) yyyy value (3.2x10-13 esu). This study is the first obviousconfirmation for a real crystal lattice of the high superiority of the nonlinear polarizability of the weak intermolecular Te-O bonds over that of the strong molecular Te-O ones. |
| Databáze: | OpenAIRE |
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