Structural and magnetic properties of orthorhombic LixMnO2 / Kellerman D. G.,Medvedeva J. E.,Gorshkov V. S.,Kurbakov A. I.,Zubkov V. G.,Tyutyunnik A. P.,Trunov V. A. // SOLID STATE SCIENCES. - 2007. - V. 9, l. 2. - P. 196-204.

ISSN/EISSN:

1293-2558 / 1873-3085

Type:

Article

Abstract:

Rietveld refinement of the crystal and magnetic structures of LixMnO2 (x = 0.98, 1.00, 1.02) are performed using neutron and X-ray measurements. A significant structural disorder due to the presence of manganese ions in lithium positions (Mn-Li) and lithium ions in manganese ones (Li-Mn) is found to be a common feature of Li0.98MnO2, Li1.00MnO2, and Li1.02MnO2. An essential anisotropy of the thermal-expansion coefficients of the lithium manganese oxides is observed in the temperature range of 1.5-300 K. Furthermore, the distortion of the oxygen octahedral environment around the manganese ions decreases when the temperature lowers. This is attributed to the strong exchange interactions between parallel exchange-coupled Mn chains. First-principles calculations of the effective exchange-interaction parameters in Li16Mn16O32 confirm the essential antiferromagnetic interactions between the chains. In addition, a hypothetical (Li15Mn)Mn16O32 structure where a lithium atom located between the Mn double layers is replaced by a manganese atom is considered. The calculations reveal that the presence of such defects results in appearance of a ferromagnetic component that agrees with the magnetic measurements. (c) 2006 Elsevier Masson SAS. All rights reserved.

Author keywords:

lithium manganese oxide; magnetic susceptibility; neutron diffraction; X-ray diffraction; exchange parameter; first-principles calculation LIMNO2; OXIDES

DOI:

10.1016/j.solidstatesciences.2

Web of Science ID:

ISI:000245212400010

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	FEB
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
EISSN	1873-3085
Keywords-Plus	LIMNO2; OXIDES
Research-Areas	Chemistry; Physics
Web-of-Science-Categories	Chemistry, Inorganic \& Nuclear; Chemistry, Physical; Physics, Condensed Matter
Author-Email	kellerman@ihim.uran.ru
ResearcherID-Numbers	Medvedeva, Julia/F-5693-2015 Tyutyunnik, Alexander/P-2230-2015 Gorshkov, Vadim/T-8585-2017
ORCID-Numbers	Gorshkov, Vadim/0000-0003-0322-5339 Kurbakov, Alexander/0000-0002-6762-7911
Number-of-Cited-References	20
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	20
Journal-ISO	Solid State Sci.
Doc-Delivery-Number	150JL