About: X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal

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About: X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We have synthesized and characterized the bismuth borate Bi2ZnB2O7 single crystals. The results of the experimental measurements of the X-ray diffraction (XRD) and X-ray photoelectron spectrum (XPS) along with an ab initio theoretical study of the electronic band structure, and density of states, are reported. The theoretical calculations are based on crystal structure built from our experimentally determined atomic parameters. The theoretical calculations have been done by using the full potential linearized augmented plane wave (FP-LAPW) method. We applied the Perdew-Burke-Ernzerhof generalized gradient approximation (GGA) and the Engel-Vosko GGA formalism. The observed XPS pattern is in good agreement with the theoretical one, confirming the pure phase of Bi2ZnB2O7. The purity and composition of the as-prepared sample are studied by XPS analysis. XPS measurements show that the bismuth possesses +3 valence state, and Zn and B species exist only in the traditional valence states of Zn2+ and B3+. We have synthesized and characterized the bismuth borate Bi2ZnB2O7 single crystals. The results of the experimental measurements of the X-ray diffraction (XRD) and X-ray photoelectron spectrum (XPS) along with an ab initio theoretical study of the electronic band structure, and density of states, are reported. The theoretical calculations are based on crystal structure built from our experimentally determined atomic parameters. The theoretical calculations have been done by using the full potential linearized augmented plane wave (FP-LAPW) method. We applied the Perdew-Burke-Ernzerhof generalized gradient approximation (GGA) and the Engel-Vosko GGA formalism. The observed XPS pattern is in good agreement with the theoretical one, confirming the pure phase of Bi2ZnB2O7. The purity and composition of the as-prepared sample are studied by XPS analysis. XPS measurements show that the bismuth possesses +3 valence state, and Zn and B species exist only in the traditional valence states of Zn2+ and B3+. (en)
Title	X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal (en)
skos:prefLabel	X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal (en)
skos:notation	RIV/67179843:_____/09:00342939!RIV11-AV0-67179843
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z60870520), Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	AL- JAARY, Ali Reshak
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	Centrum výzkumu globální změny AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	352146
http://linked.open...ai/riv/idVysledku	RIV/67179843:_____/09:00342939
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	bismuth borate; BIB3O6; generalized gradient approximation (en)
http://linked.open.../riv/klicoveSlovo	generalized gradient approximation BIB3O6 bismuth borate
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[6B21E7F1DE97]
http://linked.open...i/riv/nazevZdroje	Current Opinion in Solid State & Materials Science
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	12
http://linked.open...iv/tvurceVysledku	Auluck, S. Khenata, R. Kityk, I. V. Chen, X. Iliopoulos, K. Couris, S. Reshak, Ali H
http://linked.open...ain/vavai/riv/wos	000265047800002
http://linked.open...n/vavai/riv/zamer	Spatial and functional dynamics of biological, ecological and socio-economic systems interacting with global climatic change Fyzikální biologie -nové přístupy v biologickém výzkumu
issn	1359-0286
number of pages	6 (xsd:int)
is http://linked.open...avai/riv/vysledek of	X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal

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