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Temperature-dependent orbital physics in a spin-orbital-lattice-coupled 2p electron Mott system: The case of KO2 SCIE SCOPUS

Title
Temperature-dependent orbital physics in a spin-orbital-lattice-coupled 2p electron Mott system: The case of KO2
Authors
Kim, MMin, BI
Date Issued
2014-03-13
Publisher
APS
Abstract
We have investigated the temperature (T)-dependent evolution of orbital states in a typical spin-orbital-lattice-coupled 2p electron Mott system KO2, based on the electronic structures obtained by the dynamical mean-field theory as well as the density functional theory. We have shown that KO2 exhibits the orbital fluctuation feature at high T due to degenerate pi(g)* orbitals. Upon cooling, the orbital fluctuation is suppressed by the Jahn-Teller-type crystal field that becomes stronger with the lowering of structural symmetry, and then the ferro-orbital (FO) ordering emerges at low T. This FO ordering feature distinguishes KO2 from RbO2 and CsO2 in that the latter two seem to have antiferro-orbital orderings at low T, indicating that the underlying physics is different between them. We propose that the suppression of the orbital fluctuation in KO2 can be observed by thermal-conductivity measurement, as observed in spin-orbital-lattice-coupled 3d transition-metal oxides such as LaVO3.
URI
https://oasis.postech.ac.kr/handle/2014.oak/12321
DOI
10.1103/PHYSREVB.89.121106
ISSN
1098-0121
Article Type
Article
Citation
PHYSICAL REVIEW B, vol. 89, no. 12, page. 121106 - 121106, 2014-03-13
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