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2019 (English) In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 100, no 8, article id 085139Article in journal (Refereed) Published
Abstract [en] We establish the double perovskite Ba2CeIrO6 as a nearly ideal model system for j = 1/2 moments, with resonant inelastic x-ray scattering indicating that the ideal j = 1/2 state contributes by more than 99% to the ground-state wave function. The local j = 1/2 moments form an fcc lattice and are found to order antiferromagnetically at T-N = 14 K, more than an order of magnitude below the Curie-Weiss temperature. Model calculations show that the geometric frustration of the fcc Heisenberg antiferromagnet is further enhanced by a next-nearest neighbor exchange, and a significant size of the latter is indicated by ab initio theory. Our theoretical analysis shows that magnetic order is driven by a bond-directional Kitaev exchange and by local distortions via a strong magnetoelastic effect. Both, the suppression of frustration by Kitaev exchange and the strong magnetoelastic effect are typically not expected for j = 1/2 compounds making Ba2CeIrO6 a riveting example for the rich physics of spin-orbit entangled Mott insulators.
National Category
Materials Engineering Physical Sciences
Identifiers urn:nbn:se:su:diva-173110 (URN) 10.1103/PhysRevB.100.085139 (DOI) 000482582200006 () 2-s2.0-85072555938 (Scopus ID)
2019-10-042019-10-042022-11-03 Bibliographically approved