NaRuO2: Kitaev-Heisenberg exchange in triangular-lattice setting
Source abstract
Abstract
Abstract Kitaev exchange, a new paradigm in quantum magnetism research, occurs for 90° metal-ligand-metal links, $${t}2g5$$ transition ions, and sizable spin-orbit coupling. It is being studied in honeycomb compounds but also on triangular lattices. While for the former it is known by now that the Kitaev intersite couplings are ferromagnetic, for the latter the situation is unclear. Here we pin down the exchange mechanisms and determine the effective coupling constants in the $${t}2g5$$ triangular-lattice material NaRuO2, recently found to host a quantum spin liquid ground state. We show that, compared to honeycomb compounds, the characteristic triangular-lattice cation surroundings dramatically affect exchange paths and effective coupling parameters, changing the Kitaev interactions to antiferromagnetic. Quantum chemical analysis combined with subsequent effective spin model simulations provide perspective onto the nature of the experimentally observed quantum spin liquid—it seemingly implies fairly large antiferromagnetic second-neighbor isotropic exchange, and the atypical proximity to ferromagnetic order is related to ferromagnetic nearest-neighbor Heisenberg coupling.
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Research context
OpenAlex topics: Advanced Condensed Matter Physics · Perovskite Materials and Applications · Physics of Superconductivity and Magnetism
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