- Letter
Persistence of antiferromagnetic ordering after pressure-induced gap closure in the Slater insulator
Phys. Rev. B 111, L020403 – Published 9 January, 2025
DOI: https://doi.org/10.1103/PhysRevB.111.L020403
Abstract
We examine the insulator-to-metal transition taking place in , a Slater insulator, under pressure. While an antiferromagnetic metallic phase is absent in Slater's picture, we find a robust phase present with a high ordering temperature. This is traced to the negative charge transfer energy regime to which the system belongs. The band gap is found to have a weak pressure dependence, an order of magnitude smaller than other known materials. This follows from the unusual filling to which Os corresponds, with the antiferromagnetism favoring the insulating state. Consequently, the pressure-dependent bond length decrease and the bond angle variations compete in minimizing the changes in the effective hopping between the Os sites, leading to a “persistent insulating” state.