Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F12%3A43883653" target="_blank" >RIV/60076658:12520/12:43883653 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s10853-012-6476-1" target="_blank" >http://dx.doi.org/10.1007/s10853-012-6476-1</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10853-012-6476-1" target="_blank" >10.1007/s10853-012-6476-1</a>

Result language
angličtina
Original language name
Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment
Original language description
The optical susceptibilities have been investigated experimentally and theoretically for a newly synthesized oxoborate, (Pb3O)(2)(BO3)(2)WO4. The crystal structure is composed of one-dimensional chains formed by corner-sharing OPb4 tetrahedra. BO3 and WO4 groups are located around the chains to hold them together via Pb-O bonds. The solid-state fluorescence spectrum exhibited a maximum emission peak at around 375.2 nm with excitation light of 280 nm. UV-Vis diffuse reflectance spectra showed a band gapof about 2.9 eV which compares well with our theoretical band gap of about 2.3 eV obtained using the local density approximation and 2.6 eV using the Engel-Vosko's generalized gradient approximation. We have optimized the atomic positions starting from our X-ray diffraction data so as to minimize the forces on each atom. A remarkable finding is that this crystal possesses a weak anisotropy among three components of the frequency-dependent dielectric function and a small positive birefrin
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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