Magnetic hyperfine interactions at the V-51 nucleus in the pyrochlore Lu2V2O7 / Agzamova P. A.,Petrov V. P.,Chernyshev V. A.,Nikiforov A. E. // LOW TEMPERATURE PHYSICS. - 2015. - V. 41, l. 1. - P. 34-38.

ISSN/EISSN:

1063-777X / 1090-6517

Type:

Article

Abstract:

This is an ab initio calculation of the parameters of the magnetic hyperfine interactions at the V-51 nucleus, in the Lu2V2O7 pyrochlore, in addition to a comparative analysis of the calculated values versus known experimental data. It is shown that the unrestricted Hartree-Fock method is more suitable when it comes to describing the magnetic properties at ion nuclei, in comparison to the density functional theory with hybrid functionals B3LYP and PBE0. (C) 2015 AIP Publishing LLC.

Author keywords:

MOTT INSULATOR; STATE; FIELD

DOI:

10.1063/1.4906308

Web of Science ID:

ISI:000349020100008

Соавторы в МНС:

Другие поля

Поле	Значение
Month	JAN
Publisher	AMER INST PHYSICS
Address	1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
Language	English
EISSN	1090-6517
Keywords-Plus	MOTT INSULATOR; STATE; FIELD
Research-Areas	Physics
Web-of-Science-Categories	Physics, Applied
Author-Email	polly@imp.uran.ru
ResearcherID-Numbers	Agzamova, Polina/I-5707-2013
ORCID-Numbers	Agzamova, Polina/0000-0001-8145-9945
Funding-Acknowledgement	Ministry of Education of Russia {[}3.571.2014/K]; RFBR {[}14-02-00260]
Funding-Text	The study was executed within the framework of the state order from the Ministry of Education of Russia (Project Code 3.571.2014/K) and supported by the RFBR (Project No. 14-02-00260).
Number-of-Cited-References	19
Usage-Count-Last-180-days	2
Usage-Count-Since-2013	17
Journal-ISO	Low Temp. Phys.
Doc-Delivery-Number	CA6JV