Spin-orbital-lattice entangled states in cubic $d^1$ double perovskites

Abstract

Interplay of spin-orbit coupling and vibronic coupling on heavy $d^1$ site of cubic double perovskites is investigated by ab initio calculations. The stabilization energy of spin-orbital-lattice entangled states is found comparable to or larger than the exchange interactions, suggesting the presence of Jahn-Teller dynamics in the systems. In Ba${}_2$YMoO${}_6$, the pseudo JT coupling enhances the mixing of the ground and excited spin-orbit multiplet states, which results in strong temperature dependence of effective magnetic moments. The entanglement of the spin and lattice degrees of freedom induces a strong magneto-elastic response. This multiferroic effect is at the origin of the recently reported breaking of local point symmetry accompanying the development of magnetic ordering in Ba${}_2$NaOsO${}_6$.

arXiv comment6+5 pages, 5+5 figures

References in corpus (28)

• Correlated quantum phenomena in the strong spin-orbit regime
• Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials
• Exotic phases induced by strong spin-orbit coupling in ordered double perovskites
• Ferromagnetism in the Mott insulator Ba2NaOsO6
• Valence bond glass on an fcc lattice in the double perovskite Ba2YMoO6
• Magnetic properties of the geometrically frustrated S=1/2 antiferromagnets, La2LiMoO6 and Ba2YMoO6, with the B-site ordered double perovskite structure: Evidence for a Collective Spin Singlet Ground State
• Novel Magnetism and Local Symmetry Breaking in a Mott Insulator with Strong Spin Orbit Interactions
• Cooperative Effect of Electron Correlation and Spin-Orbit Coupling on the Electronic and Magnetic Properties of Ba2NaOsO6
• Triplet and in-gap magnetic states in the ground state of the quantum frustrated FCC antiferromagnet Ba2YMoO6
• Ba2NiOsO6: A Dirac-Mott insulator with ferromagnetism near 100 K
• Long-Range Magnetic Order in the 5d^2 Double Perovskite Ba2CaOsO6: Comparison with Spin-Disordered Ba2YReO6
• Spin-Orbit Dimers and Non-Collinear Phases in $d^1$ Cubic Double Perovskites
• Low-moment magnetism in the double perovskites Ba2MOsO6 (M=Li,Na)
• Chiral spin-orbital liquids with nodal lines
• Spin-orbit coupling, strong correlation, and insulator-metal transitions: the J${}_{\mathrm{eff}}$ =3\2 ferromagnetic Mott insulator Ba${}_2$NaOsO${}_6$
• Interplay between Lattice Distortion and Spin-Orbit Coupling in Double Perovskites
• Magnetism in S=1/2 Double-Perovskites with Strong Spin-Orbit Interactions
• Spin glass behavior in frustrated quantum spin system CuAl2O4 with a possible orbital liquid state
• Covalency and vibronic couplings make a nonmagnetic j=3/2 ion magnetic
• Low-temperature spin dynamics of a valence bond glass in Ba2YMoO6
• Dynamical Jahn--Teller effect and antiferromagnetism in Cs${}_3$C${}_{60}$
• Dynamics of a j=3/2 quantum spin liquid
• Calculated g-factors of 5d double perovskites Ba2NaOsO6 and Ba2YOsO6
• Nature of Lattice Distortions in Cubic Double-Perovskite Ba${}_2$NaOsO${}_6$
• Zeeman interaction and Jahn-Teller effect in ${\Gamma }_8$ multiplet
• Spin-phonon coupling probed by infrared transmission spectroscopy in the double perovskite Ba${}_2$YMoO${}_6$
• Dynamical Jahn--Teller instability in metallic fullerides
• Manifestation of vibronic dynamics in infrared spectra of Mott insulating fullerides

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• The Jahn-Teller effect and spin--orbit coupling: friends or foes?
• Exchange interactions, Jahn-Teller coupling, and multipole orders in pseudospin one-half $5{\mathbf{d}}^2$ Mott insulators
• Dynamic Jahn-Teller effect in the strong spin-orbit coupling regime
• Interplay between multipolar spin interactions, Jahn-Teller effect and electronic correlation in a $J_{eff}=\frac{3}{2}$ insulator
• Interplay of the Jahn--Teller Effect and Spin-Orbit Coupling: The Case of Trigonal Vibronic Modes
• The origin of magnetism in a supposedly nonmagnetic osmium oxide
• Phase transition preceding magnetic long-range order in the double perovskite Ba2NaOsO6
• Spin-orbit-lattice entangled state in A${}_2$MgReO${}_6$ (A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering
• Vibronic order and emergent magnetism in cubic $d^1$ double perovskites
• Spin-orbital Jahn-Teller bipolarons
• Hidden orders in spin-orbit entangled correlated insulators
• Vibronic excitations in resonant inelastic x-ray scattering spectra of K${}_2$RuCl${}_6$
• Valence bond glass state in the 4$d^1$ fcc antiferromagnet Ba${}_2$LuMoO${}_6$
• Interplay of superexchange and vibronic effects in the hidden order of Ba${}_2$MgReO${}_6$ from first principles
• A coherent phonon-induced hidden quadrupolar ordered state in Ca${}_2$RuO${}_4$
• Vibronic effect on resonant inelastic x-ray scattering in cubic iridium hexahalides
• Dynamic Jahn-Teller Phenomena in Heavy Transition Metal Compounds
• Electronic origin of ferroic quadrupole moment under antiferroic quadrupole orders and finite magnetic moment in $J_{\mathrm{eff}}=3/2$ systems
• Multipolar spin liquid in an exactly solvable model for $j_{\mathrm{eff}}=\frac{3}{2}$ moments
• Jahn-Teller driven quadrupolar ordering and spin-orbital dimer formation in GaNb${}_4$Se${}_8$
• Persistent quantum vibronic dynamics in a $5d^1$ double perovskite oxide
• Coupled-cluster approach to vibronic effects in resonant inelastic x-ray scattering of quantum materials: Application to a $5d^1$ rhenium oxide
• Dipolar and quadrupolar correlations in the $5d^2$ Re-based double perovskites Ba${}_2$YReO${}_6$ and Ba${}_2$ScReO${}_6$