Related papers: Multiplet effects in orbital and spin ordering phe…
We discuss the notions of spin-orbital polarization and ordering in paramagnetic materials, and address their consequences in transition metal oxides. Extending the combined density functional and dynamical mean field theory scheme to the…
In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…
The rich phenomenology engendered by the coupling between the spin and orbital degrees of freedom has become appreciated as a key feature of many strongly-correlated electron systems. The resulting emergent physics is particularly prominent…
Motivated by the recent developments on cluster Mott insulating materials such as the cluster magnet LiZn$_2$Mo$_3$O$_8$, we consider the strong plaquette charge ordered regime of the extended Hubbard model on a breathing Kagome lattice and…
The nature of the effective spin Hamiltonian and magnetic order in the honeycomb iridates is explored by considering a trigonal crystal field effect and spin-orbit coupling. Starting from a Hubbard model, an effective spin Hamiltonian is…
The interplay between spin and orbital degrees of freedom gives rise to a variety of emergent phases in correlated 4d and 5d transition-metal systems. Strong spin-orbit coupling (SOC) significantly alters Jahn-Teller (JT) physics, often…
Spin-orbit coupling in magnetic systems lacking inversion symmetry can give rise to non trivial spin textures. Magnetic thin films and heterostructures are potential candidates for the formation of skyrmions and other non-collinear spin…
We present an implementation of the hybridization expansion impurity solver which employs sparse matrix exact-diagonalization techniques to compute the time evolution of the local Hamiltonian. This method avoids computationally expensive…
We study an effective one-dimensional (1D) orbital t-J model derived for strongly correlated e_g electrons in doped manganites. The ferromagnetic spin order at half filling is supported by orbital superexchange prop. to J which stabilizes…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
Tailoring spin-orbit interactions and Coulomb repulsion are the key features to observe exotic physical phenomena such as magnetic anisotropy and topological spin texture at oxide interfaces. Our study proposes a novel platform for…
Motivated by the recent activities on the Ni-based diamond lattice antiferromagnet NiRh$_2$O$_4$, we theoretically explore on a general ground the unique spin and orbital physics for the Ni$^{2+}$ ions with a $3d^8$ electron configuration…
We use time-dependent non-equilibrium dynamical mean-field theory with weak-coupling auxiliary-field continuous time quantum Monte Carlo as an impurity solver to study the thermalization behavior of the mass-imbalanced single-band Hubbard…
We study the magnetic interactions in Mott-Hubbard systems with partially filled $t_{2g}$-levels and with strong spin-orbit coupling. The latter entangles the spin and orbital spaces, and leads to a rich variety of the low energy…
We analyze the role of orbital degeneracy in possible magnetic and orbital instabilities by solving exactly a two-site molecule with two orbitals of either $e_g$ or $t_{2g}$ symmetry at quarter-filling. As a generic feature of both models…
The electronic properties of excitonic insulators have been examined precisely in recent years. Pictures of exciton condensation may be applied to the spin-state transition observed in perovskite cobalt oxides. We examine the crystal-field…
Recently, a series of noncentrosymmetric superconductors has been a subject of considerable interest since the discovery of superconductivity in CePt_3Si. In noncentrosymmetric materials, the degeneracy of bands is lifted in the presence of…
We investigate the metal-insulator transition in the layered Ruddelsden Popper series of strontium iridates Srn+1IrnO3n+1. Tight-binding models of t2g orbitals for n = 1, 2, and infinity are constructed, and changes in band dispersion due…
We present the results of an LDA and LDA+U band structure study of the monoclinic and the corundum phases of V2O3 and argue that the most prominent (spin 1/2) models used to describe the semiconductor metal transition are not valid.…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…