Ab-initio investigation of the thermodynamics of cation distribution and the electronic and magnetic structures in the LiMn2O4 spinel

نویسندگان

  • David Santos-Carballal
  • Phuti E. Ngoepe
  • Nora H. de Leeuw
چکیده

electronic and magnetic structures in the LiMn2O4 spinel David Santos-Carballal, 2, ∗ Phuti E. Ngoepe, and Nora H. de Leeuw 3, † School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom Materials Modelling Centre, School of Physical and Mineral Sciences, University of Limpopo, Private Bag x 1106, Sovenga, 0727, South Africa Department of Earth Sciences, Utrecht University, Budapestlaan 4, 3584 CD Utrecht, The Netherlands (Dated: January 23, 2018)

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تاریخ انتشار 2018