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Article
Structural and Magnetic Properties of Orthorhombic LixMnO₂
Solid State Sciences
  • Julia E. Medvedeva, Missouri University of Science and Technology
  • D. G. Kellerman
  • V. S. Gorshkov
  • A. I. Kurbakov
  • V. G. Zubkov
  • A. P. Tyutyunnik
  • V. A. Trunov
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 (MnLi) and lithium ions in manganese ones (LiMn) 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.

Department(s)
Physics
Sponsor(s)
Russian Foundation for Basic Research
Keywords and Phrases
  • X-Ray Diffraction,
  • Exchange Parameter,
  • First-Principles Calculation,
  • Lithium Manganese Oxide,
  • Magnetic susceptibility,
  • Neutrons - Diffraction
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2006 Elsevier, All rights reserved.
Publication Date
1-1-2006
Publication Date
01 Jan 2006
Disciplines
Citation Information
Julia E. Medvedeva, D. G. Kellerman, V. S. Gorshkov, A. I. Kurbakov, et al.. "Structural and Magnetic Properties of Orthorhombic LixMnO₂" Solid State Sciences (2006) ISSN: 1293-2558
Available at: http://works.bepress.com/julia-medvedeva/29/