About: X-ray Diffraction, Crystal Structure, and Spectral Features of the Optical Susceptibilities of Single Crystals of the Ternary Borate Oxide Lead Bismuth Tetraoxide, PbBiBO4

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About: X-ray Diffraction, Crystal Structure, and Spectral Features of the Optical Susceptibilities of Single Crystals of the Ternary Borate Oxide Lead Bismuth Tetraoxide, PbBiBO4 Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The all-electron full-potential linearized augmented plane-wave method has been used for an ab initio theoretical study of the band structure, the spectral I features of the optical susceptibilities, the density of states, and the electron charge density for PbBiBO4. Our calculations show that the valence-band maximum (VBM) and conduction-band minimum (CBM) are located at the center of the Brillouin zone, resulting in a direct energy gap of about 3.2 eV. We have synthesized the PbBiBO4 crystal by employing a conventional solid-state reaction method. The theoretical calculations in this work are based on the structure built from our measured atomic parameters. We should emphasize that the observed experimental X-ray diffraction (XRD) pattern is in good agreement with the theoretical one, confirming that our structural model is valid. Our calculated bond lengths show excellent agreement with the experimental data. This agreement is attributed to,our use of full-potential calculations. The spectral featu The all-electron full-potential linearized augmented plane-wave method has been used for an ab initio theoretical study of the band structure, the spectral I features of the optical susceptibilities, the density of states, and the electron charge density for PbBiBO4. Our calculations show that the valence-band maximum (VBM) and conduction-band minimum (CBM) are located at the center of the Brillouin zone, resulting in a direct energy gap of about 3.2 eV. We have synthesized the PbBiBO4 crystal by employing a conventional solid-state reaction method. The theoretical calculations in this work are based on the structure built from our measured atomic parameters. We should emphasize that the observed experimental X-ray diffraction (XRD) pattern is in good agreement with the theoretical one, confirming that our structural model is valid. Our calculated bond lengths show excellent agreement with the experimental data. This agreement is attributed to,our use of full-potential calculations. The spectral featu (en)
Title	X-ray Diffraction, Crystal Structure, and Spectral Features of the Optical Susceptibilities of Single Crystals of the Ternary Borate Oxide Lead Bismuth Tetraoxide, PbBiBO4 X-ray Diffraction, Crystal Structure, and Spectral Features of the Optical Susceptibilities of Single Crystals of the Ternary Borate Oxide Lead Bismuth Tetraoxide, PbBiBO4 (en)
skos:prefLabel	X-ray Diffraction, Crystal Structure, and Spectral Features of the Optical Susceptibilities of Single Crystals of the Ternary Borate Oxide Lead Bismuth Tetraoxide, PbBiBO4 X-ray Diffraction, Crystal Structure, and Spectral Features of the Optical Susceptibilities of Single Crystals of the Ternary Borate Oxide Lead Bismuth Tetraoxide, PbBiBO4 (en)
skos:notation	RIV/60076658:12640/09:00010046!RIV10-MSM-12640___
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	19
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	352134
http://linked.open...ai/riv/idVysledku	RIV/60076658:12640/09:00010046
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	GENERALIZED GRADIENT APPROXIMATION; BIB3O6 BIBO; GROWTH; OXOBORATE; TRIBORATE; SOLIDS; METALS (en)
http://linked.open.../riv/klicoveSlovo	GROWTH SOLIDS GENERALIZED GRADIENT APPROXIMATION BIB3O6 BIBO TRIBORATE OXOBORATE METALS
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[DB57F1E816C7]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	13
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Auluck, S. Kityk, I. V. Chen, Xuean
http://linked.open...ain/vavai/riv/wos	000265888100007
http://linked.open...n/vavai/riv/zamer	Fyzikální biologie -nové přístupy v biologickém výzkumu
issn	1520-6106
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	12640

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