Kazan (Volga region) Federal University, KFU
KAZAN
FEDERAL UNIVERSITY
 
ORIGIN OF ELECTRON DISPROPORTIONATION IN METALLIC SODIUM COBALTATES
Form of presentationArticles in international journals and collections
Year of publication2016
Языканглийский
  • Krivenko Sergey Aleksandrovich, author
  • Lysogorskiy Yuriy Vyacheslavovich, author
  • Mukhamedshin Irek Rafkatovich, author
  • Nedopekin Oleg Vladimirovich, author
  • Tayurskiy Dmitriy Albertovich, author
  • Bibliographic description in the original language Lysogorskiy, Y. V. Origin of electron disproportionation in metallic sodium cobaltates / Y. V. Lysogorskiy, S. A. Krivenko, I. R. Mukhamedshin, O. V. Nedopekin, D. A. Tayurskii // Physical Review B. – 2016. – Vol. 94. – № 20. – P. 205138.
    Annotation Recently, an unusual metallic state with a substantially nonuniform distribution of the charge and magnetic density in CoO2 planes was found experimentally in the NaxCoO2 compound with x>0.6. We have investigated the origin of such an electron disproportionation in the lamellar sodium cobaltates by calculating the ion states as a function of the strength of the electron correlations in the d(Co) shells within the GGA+U approximation for a system with a realistic crystal structure. It was found that the nonuniformity of spin and charge densities are induced by an ordering of the sodium cations and enhanced correlations. Two important magnetic states of cobalt lattice competing with each other at realistic values of the correlation parameter were found—low-spin hexagons lattice (LS) and higher-spin kagome lattice (HS-KSL). In the heterogeneous metallic HS-KSL phase, magnetic Co ions form a kagome structure. In LS phase, the kagome pattern is decomposed into hexagons and the Co ions posse
    Keywords ab initio, cobaltates, magnetic order
    The name of the journal Physical Review B - Condensed Matter and Materials Physics
    On-line resource for training course http://dspace.kpfu.ru/xmlui/bitstream/handle/net/108313/10.1103_PhysRevB.94.205138.pdf?sequence=1&isAllowed=y
    URL http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.205138
    Please use this ID to quote from or refer to the card https://repository.kpfu.ru/eng/?p_id=145020&p_lang=2
    Resource files 
    File name Size (MB) Format  
    10.1103_PhysRevB.94.205138.pdf 0,32 pdf show / download

    Full metadata record