Influence of structure effects and orbital ordering on the magnetic hyperfine field in pyrochlore oxides R2V2O7 (R = Lu, Yb, Tm, Er, Ho): Ab initio calculations

Agzamova, P. A.

doi:10.26907/mrsej-19205

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dc.contributor.author	Agzamova, P. A.	en
dc.date.accessioned	2020-10-20T16:36:36Z	-
dc.date.available	2020-10-20T16:36:36Z	-
dc.date.issued	2019	-
dc.identifier.citation	Agzamova P. A. Influence of structure effects and orbital ordering on the magnetic hyperfine field in pyrochlore oxides R2V2O7 (R = Lu, Yb, Tm, Er, Ho): Ab initio calculations / P. A. Agzamova. — DOI 10.26907/mrsej-19205 // Magnetic Resonance in Solids. — 2019. — Vol. 2. — Iss. 21. — 19205.	en
dc.identifier.issn	2072-5981	-
dc.identifier.other	https://doi.org/10.26907/mrsej-19205	pdf
dc.identifier.other	1	good_DOI
dc.identifier.other	20a8dc3a-392f-4fcb-8254-49a4767e3bec	pure_uuid
dc.identifier.other	http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85070720435	m
dc.identifier.uri	http://elar.urfu.ru/handle/10995/92632	-
dc.description.abstract	The detailed ab initio calculations of crystal structure and hyperfine interaction parameters are presented for R2V2O7 system (R = Ho, Er, Tm, Yb, Lu) to investigate the effect of the V-ion environment due to R-ion substitution on the local magnetic properties of51V nucleus. It is shown that this effect is very small, but the orbital ordering dictates a large anisotropy of magnetic hyperfine tensor in R2V2O7 system. © Kazan Federal University (KFU)*.	en
dc.description.sponsorship	Russian Foundation for Basic Research, RFBR: 18-32-00690	en
dc.description.sponsorship	I would like to thank professor E.V. Mostovshchikova and professor M.I. Kurkin for fruitful discussions. This work was performed using «Uran» supercomputer of IMM UB RAS in the framework of the State Task of the FASO of the Russian Federation (theme “Diagnostics”, no. АААА-А18-118020690196-3) and was supported in part by the RFBR no. 18-32-00690.	en
dc.format.mimetype	application/pdf	en
dc.language.iso	en	en
dc.publisher	Kazan Federal University	en
dc.rights	info:eu-repo/semantics/openAccess	en
dc.source	Magnetic Resonance in Solids	en
dc.subject	DENSITY FUNCTIONAL THEORY	en
dc.subject	HYPERFINE INTERACTIONS	en
dc.subject	NMR	en
dc.subject	ORBITAL ORDERING	en
dc.subject	PYROCHLORES	en
dc.title	Influence of structure effects and orbital ordering on the magnetic hyperfine field in pyrochlore oxides R2V2O7 (R = Lu, Yb, Tm, Er, Ho): Ab initio calculations	en
dc.type	Article	en
dc.type	info:eu-repo/semantics/article	en
dc.type	info:eu-repo/semantics/publishedVersion	en
dc.identifier.rsi	38502187	-
dc.identifier.doi	10.26907/mrsej-19205	-
dc.identifier.scopus	85070720435	-
local.affiliation	M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, S. Kovalevskaya str. 18, Ekaterinburg, 620108, Russian Federation
local.affiliation	Ural Federal University, Mira str. 19, Ekaterinburg, 620002, Russian Federation
local.contributor.employee	Agzamova, P.A., M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, S. Kovalevskaya str. 18, Ekaterinburg, 620108, Russian Federation, Ural Federal University, Mira str. 19, Ekaterinburg, 620002, Russian Federation
local.issue	21	-
local.volume	2	-
dc.identifier.wos	000471770500001	-
local.identifier.pure	10035302	-
local.description.order	19205	-
local.identifier.eid	2-s2.0-85070720435	-
local.fund.rffi	18-32-00690	-
local.identifier.wos	WOS:000471770500001	-
Располагается в коллекциях:	Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

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