%0 Journal Article %1 PhysRevLett.125.166402 %A Springer, Daniel %A Kim, Bongjae %A Liu, Peitao %A Khmelevskyi, Sergii %A Adler, Severino %A Capone, Massimo %A Sangiovanni, Giorgio %A Franchini, Cesare %A Toschi, Alessandro %D 2020 %I American Physical Society %J Phys. Rev. Lett. %K a %N 16 %P 166402 %R 10.1103/PhysRevLett.125.166402 %T Osmates on the verge of a Hund's-Mott transition: The different fates of NaOsO$_3$ and LiOsO$_3$ %U https://link.aps.org/doi/10.1103/PhysRevLett.125.166402 %V 125 %X 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 materials if their $t_2g$ shell is half filled. Small material specific details hence result in an extremely sharp change of the electronic mobility, explaining the surprisingly different properties of the paramagnetic high-temperature phases of the two compounds.

@article{PhysRevLett.125.166402, abstract = {We clarify the origin of the strikingly different spectroscopic properties of the chemically similar compounds ${\mathrm{NaOsO}}_{3}$ and ${\mathrm{LiOsO}}_{3}$. 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 materials if their $t_{2g}$ shell is half filled. Small material specific details hence result in an extremely sharp change of the electronic mobility, explaining the surprisingly different properties of the paramagnetic high-temperature phases of the two compounds.}, added-at = {2020-12-28T11:54:43.000+0100}, author = {Springer, Daniel and Kim, Bongjae and Liu, Peitao and Khmelevskyi, Sergii and Adler, Severino and Capone, Massimo and Sangiovanni, Giorgio and Franchini, Cesare and Toschi, Alessandro}, biburl = {https://www.bibsonomy.org/bibtex/26c1d6a3a0755c5905a8876536f182b53/ctqmat}, day = 16, description = {Phys. Rev. Lett. 125, 166402 (2020) - Osmates on the Verge of a Hund's-Mott Transition: The Different Fates of ${\mathrm{NaOsO}}_{3}$ and ${\mathrm{LiOsO}}_{3}$}, doi = {10.1103/PhysRevLett.125.166402}, interhash = {3de45cce1034145fa5d2fe632e0de3b4}, intrahash = {6c1d6a3a0755c5905a8876536f182b53}, journal = {Phys. Rev. Lett.}, keywords = {a}, month = {10}, number = 16, numpages = {6}, pages = 166402, publisher = {American Physical Society}, timestamp = {2023-10-19T14:09:30.000+0200}, title = {Osmates on the verge of a Hund's-Mott transition: The different fates of NaOsO$_{\mathbf{3}}$ and LiOsO$_{\mathbf{3}}$}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.125.166402}, volume = 125, year = 2020 }