Exotic Magnetism and Spin-Orbit Assisted Mott Insulating State in a $3d-5d$ Double Perovskite

Abstract

The magnetic structure of Ca${}_2$MnReO${}_6$ double perovskite is investigated by neutron powder diffraction and bulk magnetization, showing dominant non-collinear Mn magnetic moments [$4.35(7)$ ${\mu }_B$] that are orthogonally aligned with the small Re moments [$0.22(4)$ ${\mu }_B$]. $Ab$-initio electronic structure calculations show that the strong spin-orbit coupling for Re $5d$ electrons combined with a relatively modest on-site Coulomb repulsion ($U_{eff}^{Re}\gtrsim 0.6$ eV) is sufficient to render this material insulating. This is a rare example of spin-orbit assisted Mott insulator outside the realm of iridates, with remarkable magnetic properties.

arXiv comment7 pages, 5 figures, 2 tables

References in corpus (5)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
• Novel Jeff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr2IrO4
• Mott physics and band topology in materials with strong spin-orbit interaction
• The Challenge of Spin-Orbit-Tuned Ground States in Iridates

Cited by in corpus (6)

• Benchmark for Ab Initio Prediction of Magnetic Structures based on Cluster-Multipole Theory
• Muon spin rotation and neutron scattering investigations of the B-site ordered double perovskite Sr2DyRuO6
• Effects of charge doping on Mott insulator with strong spin-orbit coupling, Ba${}_2$NaOsO${}_6$
• Pressure-Driven Transitions in La2CoTiO6: Antiferromagnetic Insulator to Nonmagnetic Metal via Antiferromagnetic Metal in a Double Perovskite Oxide
• Electronic structure of Fe and magnetism in the $3d/5d$ double perovskites Ca${}_2$FeReO${}_6$ and Ba${}_2$FeReO${}_6$
• Enhanced magnetism and suppressed magnetoelastic coupling induced by electron doping in Ca${}_{1-x}$Y${}_x$MnReO${}_6$