Structural Stability of CuAl2O4 under Pressure

Agzamova, P. A.; Belik, A. A.; Streltsov, S. V.

doi:10.1088/1361-648X/abba68

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Поле DC	Значение	Язык
dc.contributor.author	Agzamova, P. A.	en
dc.contributor.author	Belik, A. A.	en
dc.contributor.author	Streltsov, S. V.	en
dc.date.accessioned	2022-05-12T08:16:33Z	-
dc.date.available	2022-05-12T08:16:33Z	-
dc.date.issued	2021	-
dc.identifier.citation	Agzamova P. A. Structural Stability of CuAl2O4 under Pressure / P. A. Agzamova, A. A. Belik, S. V. Streltsov. — DOI 10.21538/0134-4889-2020-26-1-89-101 // Journal of Physics Condensed Matter. — 2021. — Vol. 33. — Iss. 3. — 35403.	en
dc.identifier.issn	0953-8984	-
dc.identifier.other	All Open Access, Green	3
dc.identifier.uri	http://elar.urfu.ru/handle/10995/111342	-
dc.description.abstract	Structural properties of CuAl2O4, which was recently argued to show unusual suppression of the Jahn–Teller distortions by the spin–orbit coupling, are investigated under pressures up to 6 GPa. Analysis of x-ray powder diffraction experiments shows that CuAl2O4 gets unstable and decomposes onto CuO and Al2O3 at pressures ∼6 GPa and temperature ∼1000 K. This finding is complemented by the density-functional theory + U + spin–orbit coupling calculations, which demonstrate that this instability is partially driven by a (relatively) large compressibility of strongly Jahn–Teller distorted CuO. © 2020 IOP Publishing Ltd Printed in the UK.	en
dc.description.sponsorship	SVS is grateful to I Leonov for discussion of structural stability of normal and inverse spinels. Theoretical calculations were supported by the Russian Science Foundation via program RSF 20-62-46047. AAB was partly supported by JSPS KAKENHI Grant Number JP20H05276, a research grant (40-37) from Nippon Sheet Glass Foundation for Materials Science and Engineering, and Innovative Science and Technology Initiative for Security (Grant Number JPJ004596) from Acquisition, Technology, and Logistics Agency (ATLA), Japan. We also thank 02.A03.21.0006 project of Russian Ministry of Education.	en
dc.format.mimetype	application/pdf	en
dc.language.iso	en	en
dc.publisher	IOP Publishing Ltd	en1
dc.publisher	IOP Publishing	en
dc.relation	info:eu-repo/grantAgreement/RSF//20-62-46047	en
dc.rights	info:eu-repo/semantics/openAccess	en
dc.source	J Phys Condens Matter	2
dc.source	Journal of Physics Condensed Matter	en
dc.subject	HIGH PRESSURE	en
dc.subject	SPINELS	en
dc.subject	SPIN–ORBIT-COUPLING	en
dc.subject	ALUMINA	en
dc.subject	ALUMINUM OXIDE	en
dc.subject	COPPER OXIDES	en
dc.subject	STABILITY	en
dc.subject	X RAY POWDER DIFFRACTION	en
dc.subject	ORBIT COUPLING	en
dc.subject	STRUCTURAL STABILITIES	en
dc.subject	DENSITY FUNCTIONAL THEORY	en
dc.title	Structural Stability of CuAl2O4 under Pressure	en
dc.type	Article	en
dc.type	info:eu-repo/semantics/article	en
dc.type	info:eu-repo/semantics/submittedVersion	en
dc.identifier.rsi	45165668	-
dc.identifier.doi	10.1088/1361-648X/abba68	-
dc.identifier.scopus	85095707211	-
local.contributor.employee	Agzamova, P.A., M.N. Miheev Institute of, Metal Physics of Ural Branch of Russian Academy of Sciences, Ekaterinburg, 620108, Russian Federation, Ural Federal University, Mira St. 19, Ekaterinburg, 620002, Russian Federation; Belik, A.A., International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba, Ibaraki, 305−0044, Japan; Streltsov, S.V., M.N. Miheev Institute of, Metal Physics of Ural Branch of Russian Academy of Sciences, Ekaterinburg, 620108, Russian Federation, Ural Federal University, Mira St. 19, Ekaterinburg, 620002, Russian Federation	en
local.issue	3	-
local.volume	33	-
dc.identifier.wos	000588252400001	-
local.contributor.department	M.N. Miheev Institute of, Metal Physics of Ural Branch of Russian Academy of Sciences, Ekaterinburg, 620108, Russian Federation; Ural Federal University, Mira St. 19, Ekaterinburg, 620002, Russian Federation; International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba, Ibaraki, 305−0044, Japan	en
local.identifier.pure	20114526	-
local.description.order	35403	-
local.identifier.eid	2-s2.0-85095707211	-
local.fund.rsf	20-62-46047	-
local.identifier.wos	WOS:000588252400001	-
local.identifier.pmid	33107445	-
Располагается в коллекциях:	Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

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