Charge localization, frustration relief, and spin-orbit coupling in U$_3$O$_8$

Autor:	Saniz, Rolando, Baldinozzi, Gianguido, Arts, Ine, Leinders, Gregory, Lamoen, Dirk, Verwerft, Marc
Rok vydání:	2023
Předmět:	Condensed Matter - Strongly Correlated Electrons
Druh dokumentu:	Working Paper
Popis:	Research efforts on the low temperature magnetic order and electronic properties of U$_3$O$_8$ have been inconclusive so far. Reinterpreting neutron scattering results, we use group representation theory to show that the ground state presents collinear out-of-plane magnetic moments, with antiferromagnetic coupling both in-layer and between layers. Charge localization relieves the initial geometric frustration, generating a slightly distorted honeycomb sublattice with N\'eel order. We show, furthermore, that spin-orbit coupling has a giant effect on the conduction band states and band gap value. Our results allow a reinterpretation of recent optical absorption measurements. Comment: 12 pages, including supplemental material
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2301.09343 Zobrazit plný text záznamu View this record from Arxiv