Osmates on the Verge of a Hund's-Mott Transition: The Different Fates of NaOsO_{3} and LiOsO_{3}.
@article{Springer2019OsmatesOT, title={Osmates on the Verge of a Hund's-Mott Transition: The Different Fates of NaOsO\_\{3\} and LiOsO\_\{3\}.}, author={D. Springer and Bongjae Kim and Peitao Liu and Sergii Khmelevskyi and Massimo Capone and Giorgio Sangiovanni and Cesare Franchini and Alessandro Toschi}, journal={Physical review letters}, year={2019}, volume={125 16}, pages={ 166402 } }
We clarify the origin of the strikingly different spectroscopic properties of the chemically similar compounds NaOsO_{3} and LiOsO_{3}. Our first-principle, many-body analysis demonstrates that the highly sensitive physics of these two materials is controlled by their proximity to an adjacent Hund's-Mott insulating phase. Although 5d oxides are mildly correlated, we show that the cooperative action of intraorbital repulsion and Hund's exchange becomes the dominant physical mechanism in these…
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