X-RAY-SPECTRA AND ELECTRONIC-STRUCTURE OF LIXNBO2 SUPERCONDUCTOR AND OTHER NIOBIUM OXIDE COMPOUNDS / CHERKASHENKO VM,KOROTIN MA,ANISIMOV VI,SHUMILOV VV,GALAKHOV VR,KELLERMAN DG,ZUBKOV VG,KURMAEV EZ // ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER. - 1994. - V. 93, l. 4. - P. 417-424.

ISSN/EISSN:

0722-3277 / нет данных

Type:

Article

Abstract:

X-ray emission Nb L(beta2,15) and O K(alpha) spectra and O1s 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 O2p band, the degree of O2p-Nb4d 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 Nb4d and O2p 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 Nb4d states. With the decrease of x the p - d hybridization becomes stronger, although remains well below the values typical for the high-temperature superconductors.

Author keywords:

нет данных

DOI:

10.1007/BF01314244

Web of Science ID:

ISI:A1994MY85200003

Соавторы в МНС:

Другие поля

Поле	Значение
Month	MAR
Publisher	SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013 USA
Language	English
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Anisimov, Vladimir/K-1235-2013 Galakhov, Vadim/J-6030-2013 Kurmaev, Ernst/J-4254-2013 Korotin, Michael/J-3252-2013
ORCID-Numbers	Anisimov, Vladimir/0000-0002-1087-1956 Galakhov, Vadim/0000-0002-1642-7362 Kurmaev, Ernst/0000-0003-4625-4930 Korotin, Michael/0000-0002-9603-8374
Number-of-Cited-References	17
Usage-Count-Since-2013	12
Journal-ISO	Z. Phys. B-Condens. Mat.
Doc-Delivery-Number	MY852