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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 gap of 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 birefringence. This indicates that the oxoborate, (Pb3O)(2)(BO3)(2)WO4, cannot be used to produce second harmonic generation (SHG) and optical parametric oscillation. 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 gap of 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 birefringence. This indicates that the oxoborate, (Pb3O)(2)(BO3)(2)WO4, cannot be used to produce second harmonic generation (SHG) and optical parametric oscillation. (en)
Title	Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment (en)
skos:prefLabel	Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment (en)
skos:notation	RIV/60076658:12520/12:43883653!RIV13-MSM-12520___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED2.1.00/01.0024)
http://linked.open...iv/cisloPeriodika	15
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Reshak, Ali Hussain
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Jihočeská univerzita v Českých Budějovicích / Fakulta rybářství a ochrany vod
http://linked.open...dnocenehoVysledku	147120
http://linked.open...ai/riv/idVysledku	RIV/60076658:12520/12:43883653
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	CR; ELECTRON-GAS; CRYSTAL-STRUCTURE (en)
http://linked.open.../riv/klicoveSlovo	CR CRYSTAL-STRUCTURE ELECTRON-GAS
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[F4BD51F188A6]
http://linked.open...i/riv/nazevZdroje	JOURNAL OF MATERIALS SCIENCE
http://linked.open...in/vavai/riv/obor	BH
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	47
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Auluck, S. Kamarudin, H. Chen, Xuean
http://linked.open...ain/vavai/riv/wos	000304110400022
issn	0022-2461
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1007/s10853-012-6476-1
http://localhost/t...ganizacniJednotka	12520

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