Related papers: Pseudo Jahn-Teller Effect and Magnetoelastic Coupl…
The interactions between $e_g$ orbitals in neighboring sites are investigated in LaMnO$_3$ by taking into account virtual exchange of electrons and phonons. The spin and orbital ordering temperatures and the spin wave dispersion relation…
The Jahn-Teller (JT) distortion that can remove electronic degeneracies in partially occupied states and results in systematic atomic displacements is a common underlying feature to many of the intriguing phenomena observed in 3d…
We show theoretically that spin and orbital degrees of freedom in the pyrochlore oxide Y2Mo2O7, which is free of quenched disorder, can exhibit a simultaneous glass transition, working as dynamical randomness to each other. The interplay of…
The layered 5d transition metal oxide Sr2IrO4 has been shown to host a novel Jeff=1/2 Mott spin orbit insulating state with antiferromagnetic ordering, leading to comparisons with the layered cuprates. Here we study the effect of…
We study the effect of the synthetic spin-orbit coupling in a two-component Bose-Hubbard model in one dimension by employing the density-matrix renormalization group method. A ferromagnetic long-range order emerges in both Mott insulator…
The alloy Ca$_{2-x}$Sr$_x$RuO$_4$ exhibits a complex phase diagram with peculiar magnetic metallic phases. In this paper some aspects of this alloy are discussed based on a mean field theory for an effective Kugel-Khomskii model of…
We investigate the electronic structure and magnetic properties of a $J_\text{eff} = 1/2$ iridate Ca$_4$IrO$_6$ and the implications of doping electrons and holes using ab initio density functional theory. Our calculations considering…
We point out the universal presence of the excitonic superexchange in spin-orbit-coupled Mott insulators. It is observed that, the restriction to the lowest spin-orbit-entangled "$J$" states may sometimes be insufficient to characterize the…
We derive a spin-orbital model for insulating LaMnO_3 which fulfills the SU(2) symmetry of S=2 spins at Mn^{3+} ions. It includes the complete e_g and t_{2g} superexchange which follows from a realistic Mn^{2+} multiplet structure in cubic…
In spinel-type nickelate NiRh$_2$O$_4$, magnetic ordering is observed upon the sample synthesized via kinetically controlled low-temperature solid-state metathesis, as opposed to previously-reported samples obtained through conventional…
The phase diagram of half-doped manganite systems of formula A_{0.5}A'_{0.5}MnO_3 is investigated within a single-orbital model incorporating magnetic double-exchange and superexchange, together with intersite Coulomb and electron-lattice…
A supposedly nonmagnetic 5d$^1$ double perosvkite oxide is investigated by a combination of spectroscopic and theoretical methods, namely resonant inelastic X-ray scattering, X-ray absorption spectroscopy, magnetic circular dichroism, and…
Taking into account both the Jahn-Teller lattice distortion and the on-site electronic potential fluctuations in the orbital-degenerated double-exchange model, in which both the core-spin and the lattice distortion are treated classically,…
The half-filled $t_{2g}$ shell of the $t_{2g}^3$ configuration usually, in LS coupling, hosts a S = 3/2 ground state with quenched orbital moment. This state is not Jahn-Teller active. Sufficiently large spin-orbit coupling $\zeta$ has been…
For materials where spin-orbit coupling is competitive with electronic correlations, the spatially anisotropic spin-orbital wavefunctions can stabilize degenerate states that lead to many and diverse quantum phases of matter. Here, we find…
The emergence of a ferromagnetic component in $LaMnO_{3}$ with low Cr-for-Mn substitution has been studied by x-ray absorption spectroscopy and x-ray magnetic circular dichroism at the Mn and Cr K edges. The local magnetic moment strength…
We study the effects of magneto-elastic coupling on the degenerate ground state of the antiferromagnetic Heisenberg model on regular triangle and tetrahedron clusters of spin-1/2. Both give very similar results. Static distortion lifts the…
Magnetic and orbital structures in KCuF$_{3}$ are revisited by the cluster self-consistent field approach developed recently. We clearly showed that due to the inherent frustration, the ground state of the system with the superexchange and…
We have studied relationship between local lattice disorder, Ru 4$d$ spin-orbit interaction, and global spin/orbital orders of Ca$_{2-x}$Sr$_x$RuO$_4$ in the Sr-rich and Ca-rich regions of its phase diagram by using unrestricted…
Comprehensive neutron-powder diffraction and Rietveld analyses were carried out to clarify the relation between the crystal and magnetic structures of La2-2xSr1+2xMn2O7 (0.30 =< x =< 0.50). The Jahn-Teller (JT) distortion of Mn-O6…