Strong magnetic frustration and anti-site disorder causing spin-glass behavior in honeycomb Li2RhO3

Vamshi M. Katukuri, Satoshi Nishimoto, Ioannis Rousochatzakis, Hermann Stoll, Jeroen Van Den Brink, Liviu Hozoi

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14 Scopus citations

Abstract

With large spin-orbit coupling, the electron configuration in d-metal oxides is prone to highly anisotropic exchange interactions and exotic magnetic properties. In 5d 5 iridates, given the existing variety of crystal structures, the magnetic anisotropy can be tuned from antisymmetric to symmetric Kitaev-type, with interaction strengths that outsize the isotropic terms. By many-body electronic-structure calculations we here address the nature of the magnetic exchange and the intriguing spin-glass behavior of Li2RhO3, a 4d5 honeycomb oxide. For pristine crystals without Rh-Li site inversion, we predict a dimerized ground state as in the isostructural 5d5 iridate Li2IrO 3, with triplet spin dimers effectively placed on a frustrated triangular lattice. With Rh-Li anti-site disorder, we explain the observed spin-glass phase as a superposition of different, nearly degenerate symmetry-broken configurations.

Original languageEnglish (US)
Article number14718
JournalScientific reports
Volume5
DOIs
StatePublished - Oct 5 2015

Bibliographical note

Funding Information:
We thank V.Yushankhai, Y. Singh, N.A. Bogdanov, and U.K. Rößler for useful discussions. L. H. acknowledges financial support from the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG). This work is supported by SFB 1143 of the Deutsche Forschungsgemeinschaft.

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