Related papers: Exchange interactions, Jahn-Teller coupling, and m…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…
We study a two dimensional, two-band double-exchange model for $e_g$ electrons coupled to Jahn-Teller distortions in the presence of quenched disorder using a recently developed Monte-Carlo technique. In the absence of disorder the…
A double exchange model for degenerate $e_g$ orbitals with intra- and inter-orbital interactions has been studied for the electron doped manganites A$_{1-x}$B$_{x}$MnO$_3$ ($x > 0.5$). We show that such a model reproduces the observed phase…
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…
The three dimensional perovskite manganites in the range of hole-doping $x > 0.5$ are studied in detail using a double exchange model with degenerate $e_g$ orbitals including intra- and inter-orbital correlations and near-neighbour Coulomb…
We discuss DC electric-field controls of superexchange interactions. We first present generic results about antiferromagnetic and ferromagnetic superexchange interactions valid in a broad class of Mott insulators, where we also estimate…
In this work we investigate the phase diagram of heavy (4d and 5d) transition metal oxides on the pyrochlore lattice, such as those of the form $\mathrm{A_2M_2O_7}$, where A is a rare earth element and M is a transition metal element. We…
The ground state of a double-exchange model for orbitally degenerate $e_g$ electrons with Jahn-Teller lattice coupling and weak disorder is found to be spatially inhomogeneous near half filling. Using a real space Monte-Carlo method we show…
In many transition metal compounds, in particular those containing Fe^{2+} and Co^{3+}, there occur spin-state transitions between low-spin and high-spin (or intermediate-spin) states. We show that typical interactions between similar…
We investigate the spin of a multielectron GaAs quantum dot in a sequence of nine charge occupancies, by exchange coupling the multielectron dot to a neighboring two-electron double quantum dot. For all nine occupancies, we make use of a…
Spin-orbit coupling of as large as a half eV for electrons in 5$d$ orbitals often gives rise to the formation of spin-orbital entangled objects, characterized by the effective total angular momentum $J_{eff}$. Of particular interest are the…
We study the effects of doping a Mott insulator on the honeycomb lattice where spins interact via direction dependent Kitaev couplings J_K, and weak antiferromagnetic Heisenberg couplings J. This model is known to have a spin liquid ground…
We investigate theoretically spin and orbital pseudospin magnetic properties of a molecular orbital in parabolic and elliptic double quantum dots (DQDs). In our many body calculation we include intra- and inter-dot electron-electron…
Roles of orbital and lattice degrees of freedom in strongly correlated systems are investigated to understand electronic properties of perovskite Mn oxides such as La_{1-x}Sr_{x}MnO_{3}. An extended double-exchange model containing Coulomb…
The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin…
Spin-orbit (SO) Mott insulators are regarded as a new paradigm of magnetic materials, whose properties are largely influenced by SO coupling and featured by highly anisotropic bond-dependent exchange interactions between the spin-orbital…
In order to have a better understanding of ultrafast electrical control of exchange interactions in multi-orbital systems, we study a two-orbital Hubbard model at half filling under the action of a time-periodic electric field. Using…
With the recent production of polar molecules in the quantum regime, long-range dipolar interactions are expected to facilitate the understanding of strongly interacting many-body quantum systems and to realize lattice spin models for…
The electronic and magnetic properties of monoclinic double perovskite Sr$_2$CeIrO$_6$ were examined based on both experiments and first-principles density functional theory calculations. From the calculations we conclude that…
The thermodynamics of the lattice model of intercalation of ions in crystals is considered in the mean field approximation. Pseudospin formalism is used for the description of interaction of electrons with ions and the possibility of…