Specific features of magnetic and electrical hyperfine interactions in titanates according to ab initio calculations / Agzamova P. A.,Leskova Yu. V.,Petrov V. P.,Chernyshev V. A.,Zakir'yanov D. O.,Nikiforov A. E. // PHYSICS OF METALS AND METALLOGRAPHY. - 2014. - V. 115, l. 12. - P. 1194-1199.

ISSN/EISSN:

0031-918X / 1555-6190

Type:

Article

Abstract:

Ab initio calculations of the parameters of magnetic and electrical hyperfine interactions at the nuclei of magnetic ions Ti-47,Ti-49 and nonmagnetic ions La-139 and Y-89 have been performed in the model of a periodic crystal and in the cluster model for lanthanum and yttrium titanates. A comparison has been performed with experimental data and with the results of calculations in the model of crystalline field and with data from calculations in the LDA and LDA + U approximations.

Author keywords:

orbital physics; titanates; NMR; hyperfine interactions GAUSSIAN-BASIS SETS; ATOMS LI; LATIO3; STATE; FLUCTUATIONS; INSULATORS; KR

DOI:

10.1134/S0031918X14120023

Web of Science ID:

ISI:000346606500003

Соавторы в МНС:

Другие поля

Поле	Значение
Month	DEC
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
EISSN	1555-6190
Keywords-Plus	GAUSSIAN-BASIS SETS; ATOMS LI; LATIO3; STATE; FLUCTUATIONS; INSULATORS; KR
Research-Areas	Metallurgy \& Metallurgical Engineering
Web-of-Science-Categories	Metallurgy \& Metallurgical Engineering
Author-Email	polly@imp.uran.ru
ResearcherID-Numbers	Nikiforov, Anatoliy/L-4436-2016 Agzamova, Polina/I-5707-2013
ORCID-Numbers	Agzamova, Polina/0000-0001-8145-9945
Funding-Acknowledgement	Russian Foundation for Basic Research {[}14-02-00260]
Funding-Text	This work was performed under the state task of the Ministry of Education and Science of Russia (code of the project 2457) and supported in part by the Russian Foundation for Basic Research (project no. 14-02-00260).
Number-of-Cited-References	33
Usage-Count-Last-180-days	4
Usage-Count-Since-2013	35
Journal-ISO	Phys. Metals Metallogr.
Doc-Delivery-Number	AW9WR