Skip to Main content Skip to Navigation
New interface
Journal articles

Quadrupolar superexchange interactions, multipolar order, and magnetic phase transition in UO2

Abstract : The origin of noncollinear magnetic order in UO2 is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating intersite superexchange interactions between U 5 f2 shells. The calculated quadrupole-quadruple superexchange interactions are found to unambiguously resolve the frustration of face-centered-cubic U sublattice toward stabilization of the experimentally observed noncollinear 3k-magnetic order. Therefore, the exotic 3k-antiferromagnetic order in UO2 can be accounted for by a purely electronic exchange mechanism acting in the undistorted cubic lattice structure. The quadrupolar short-range order above magnetic ordering temperature TN is found to qualitatively differ from the long-range order below TN.
Document type :
Journal articles
Complete list of metadata

https://hal-insu.archives-ouvertes.fr/insu-03747942
Contributor : Nathalie POTHIER Connect in order to contact the contributor
Submitted on : Tuesday, August 9, 2022 - 8:48:17 AM
Last modification on : Monday, October 3, 2022 - 4:38:53 PM

Links full text

Identifiers

Collections

INSU | CDF | PSL

Citation

Leonid V. Pourovskii, Sergii Khmelevskyi. Quadrupolar superexchange interactions, multipolar order, and magnetic phase transition in UO2. Physical Review B, 2019, 99, ⟨10.1103/PhysRevB.99.094439⟩. ⟨insu-03747942⟩

Share

Metrics

Record views

9