X-ray spectra and electronic structure of LixNbO2 superconductor and other niobium oxide compounds / Cherkashenko V.M., Korotin M.A., Anisimov V.I., Shumilov V.V., Galakhov V.R., Kellerman D.G., Zubkov V.G., Kurmaev E.Z. // Zeitschrift für Physik B Condensed Matter. - 1994. - V. 93, l. 4. - P. 417-424.

ISSN:

07223277

Type:

Article

Abstract:

X-ray emission Nb {Mathematical expression} and O Kα spectra and O1 s total photoelectron yield spectra for superconductor Li0.71NbO2 and other niobium oxide compounds NbO, BaNb4O6, Ba2Nb5O9, BaNb5O8. LiNbO2, NbO2, LiNbO3 were investigated. It was found that in stoichiometric LiNbO2, niobium oxidation degree is 3+. Under the lithium deintercalation down to Li0.71NbO2 composition, the niobium ions oxidation degree increases up to 3.3+. As more electrons are supplied by Nb to fill the O2 p band, the degree of O2 p-Nb4 d hybridization is increased. Using the full-potential linear muffin-tin orbital method, the self-consistent band structure calculations of LixNbO2 (x=1.0; 0.7; 0.5) compounds were carried out. Agreement between partial Nb4 d and O2 p densities of states and corresponding X-ray spectra was observed. For the x=0.7; 0.5 the Fermi level is placed on the slope of sharp density of states peak formed mostly by the Nb4 d states. With the decrease of x the p-d hybridization becomes stronger, although remains well below the values typical for the high-temperature superconductors. © 1994 Springer-Verlag.

Author keywords:

71.00; 74.00; 78.00

Index keywords:

нет данных

DOI:

10.1007/BF01314244

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Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-0041474150&doi=10.1007%2fBF01314244&partnerID=40&md5=055d6391fc16056270a9eb3a85b89fd9
Affiliations	Institute of Metal Physics, Ural Division of the Russian Academy of Sciences, Yekaterinburg, GSP-170, Russian Federation; Institute of Chemistry, Ural Division of the Russian Academy of Sciences, Yekaterinburg, GSP-145, Russian Federation
Author Keywords	71.00; 74.00; 78.00
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Correspondence Address	Cherkashenko, V.M.; Institute of Metal Physics, Ural Division of the Russian Academy of Sciences, Yekaterinburg, GSP-170, Russian Federation
Publisher	Springer-Verlag
Language of Original Document	English
Abbreviated Source Title	Z. Physik B - Condensed Matter
Source	Scopus