About: Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7

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About: Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A non-centrosymmetric borate, CaBiGaB2O7, has been grown by a solid-state reaction method at a temperature below 700 degrees C. The single-crystal x-ray structural analysis has shown that it crystallizes in the tetragonal space group P (4) over bar2(1)m with a = 0.7457( 1) nm, c = 0.4834(1) nm, Z = 2. It has a three-dimensional (3D) structure in which [B2O7](8-) groups are bridged by [GaO4](5-) tetrahedra through shared O atoms to form 2D (2)(infinity)[GaB2O7](5-) layers that are further linked by Bi3+/Ca2+ cations giving rise to the final 3D framework. The IR spectrum confirms the presence of [BO4](5-) groups and the UV-vis diffuse reflectance spectrum shows that the optical band gap is about 2.9 eV. This value is compared with our band structure calculations using the full potential linearized augmented plane wave approach within the framework of the Engel-Vosko GGA formalism. A non-centrosymmetric borate, CaBiGaB2O7, has been grown by a solid-state reaction method at a temperature below 700 degrees C. The single-crystal x-ray structural analysis has shown that it crystallizes in the tetragonal space group P (4) over bar2(1)m with a = 0.7457( 1) nm, c = 0.4834(1) nm, Z = 2. It has a three-dimensional (3D) structure in which [B2O7](8-) groups are bridged by [GaO4](5-) tetrahedra through shared O atoms to form 2D (2)(infinity)[GaB2O7](5-) layers that are further linked by Bi3+/Ca2+ cations giving rise to the final 3D framework. The IR spectrum confirms the presence of [BO4](5-) groups and the UV-vis diffuse reflectance spectrum shows that the optical band gap is about 2.9 eV. This value is compared with our band structure calculations using the full potential linearized augmented plane wave approach within the framework of the Engel-Vosko GGA formalism. (en)
Title	Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 (en)
skos:prefLabel	Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 (en)
skos:notation	RIV/60076658:12640/09:00010051!RIV10-MSM-12640___
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	20
http://linked.open...vai/riv/dodaniDat	2010
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 / Ústav fyzikální biologie
http://linked.open...dnocenehoVysledku	345092
http://linked.open...ai/riv/idVysledku	RIV/60076658:12640/09:00010051
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	BI3B5O12; BIB3O6; OXIDE; BABIBO4; SOLIDS (en)
http://linked.open.../riv/klicoveSlovo	OXIDE SOLIDS BIB3O6 BI3B5O12 BABIBO4
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[022C34988A40]
http://linked.open...i/riv/nazevZdroje	Journal of Physics-Condensed Matter
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	21
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Auluck, S. Kityk, I. V. Chen, Xuean Song, Fangping
http://linked.open...ain/vavai/riv/wos	000265418600025
http://linked.open...n/vavai/riv/zamer	Fyzikální biologie -nové přístupy v biologickém výzkumu
issn	0953-8984
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	12640
is http://linked.open...avai/riv/vysledek of	Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7 Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7

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