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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BH - Optika, masery a lasery

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

JOURNAL OF MATERIALS SCIENCE

ISSN

0022-2461

e-ISSN

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Svazek periodika

47

Číslo periodika v rámci svazku

15

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

5794-5800

Kód UT WoS článku

000304110400022

EID výsledku v databázi Scopus

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