Počet záznamů: 1  

DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu.sub.2./sub.O.sub.6./sub.

  1. 1.
    0482199 - FZÚ 2018 RIV US eng J - Článek v odborném periodiku
    Hariki, A. - Hausoel, A. - Sangiovanni, G. - Kuneš, Jan
    DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu2O6.
    Physical Review B. Roč. 96, č. 15 (2017), s. 1-8, č. článku 155135. ISSN 2469-9950. E-ISSN 2469-9969
    GRANT EU: European Commission(XE) 646807 - EXMAG
    Institucionální podpora: RVO:68378271
    Klíčová slova: covalent insulator * dynamical mean-field theory
    Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
    Impakt faktor: 3.813, rok: 2017

    The dynamical mean-field theory is used to study the three-orbital model of the d3 compound SrRu2O3 both with and without explicitly including the O-p states. Depending on the size of the Hund's coupling J, at low to intermediate temperatures we find solutions corresponding to Mott or correlated covalent insulators. The latter can explain the experimentally observed absence of Curie susceptibility in the paramagnetic phase. At high temperatures, a single phase with smoothly varying properties is observed. SrRu2O3 provides an ideal system to study the competition between the local moment physics and covalent bonding, since both effects are maximized, while SO interaction is found to play a minor role.

    Trvalý link: http://hdl.handle.net/11104/0277580

     
     
Počet záznamů: 1  

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