Structure and electronic properties of new rutile-like rhenium (IV) dioxide ReO2 / Ivanovskii AL,Chupakhina TI,Zubkov VG,Tyutyunnik AP,Krasilnikov VN,Bazuev GV,Okatov SV,Lichtenstein AI // PHYSICS LETTERS A. - 2005. - V. 348, l. 1-2. - P. 66-70.

ISSN/EISSN:

0375-9601 / нет данных

Type:

Article

Abstract:

A new rhenium (IV) dioxide crystallized in the rutile-type. structure was successfully synthesized by a solid-state route and characterized by elemental analyses, X-ray and neutron powder diffraction. The structure obtained is tetragonal (space group P4(2)/mnm) with the lattice constants a = 4.79825(5) and c = 2.80770(4) angstrom. The electronic properties of rutile-like ReO2 were investigated by means of the projected augmented wave (PAW) method within both LIDA and LDA + U approximations. The results revealed that the antiferromagnetic ordering is favorable for this system with the local magnetic moments about 1.0 mu(B) per Re atom. O 2p-Re 5d hybridization is important, and a covalent bonding between 0 and Re atoms occurs. (c) 2005 Elsevier B.V. All rights reserved.

Author keywords:

rutile-like ReO2; synthesis; structure; electronic; magnetic properties AUGMENTED-WAVE METHOD; TRANSITION; COMPLEXES; SPECTRA; PHASE; OXIDE

DOI:

10.1016/j.physleta.2005.08.025

Web of Science ID:

ISI:000233685300010

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	DEC 19
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
Keywords-Plus	AUGMENTED-WAVE METHOD; TRANSITION; COMPLEXES; SPECTRA; PHASE; OXIDE
Research-Areas	Physics
Web-of-Science-Categories	Physics, Multidisciplinary
Author-Email	ivanovskii@ihim.uran.ru
ResearcherID-Numbers	Lichtenstein, Alexander/K-8730-2012 Tyutyunnik, Alexander/P-2230-2015
ORCID-Numbers	Lichtenstein, Alexander/0000-0003-0152-7122
Number-of-Cited-References	33
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	34
Journal-ISO	Phys. Lett. A
Doc-Delivery-Number	989PE