Related papers: Spin-orbit effects in Na$_4$Ir$_3$O$_8$, a hyper-k…
Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…
By means of density functional theory (DFT) calculations (with and without inclusion of spin-orbit (SO) coupling) we present a detailed study of the electronic structure and corresponding microscopic Hamiltonian parameters of Na2IrO3. In…
The microscopic modeling of spin-orbit entangled $j=1/2$ Mott insulators such as the layered hexagonal Iridates Na$_2$IrO$_3$ and Li$_2$IrO$_3$ has spurred an interest in the physics of Heisenberg-Kitaev models. Here we explore the effect…
Motivated by recent experiments exploring the spin-orbit-coupled magnetism in $4d$- and $5d$-band transition metal oxides, we study magnetic interactions in Ir- and Rh-based compounds. In these systems, the comparable strength of spin-orbit…
We construct the symmetry adapted low energy effective Hamiltonian for the electronic states in the vicinity of the Fermi level in iron based superconductors. We use Luttinger's method of invariants, expanding about Gamma and M points in…
Recent experiments indicate that Na$_4$Ir$_3$O$_8$, a material in which s=1/2 iridium local moments form a three dimensional network of corner-sharing triangles, may have a quantum spin liquid ground state with gapless spin excitations.…
We review recent theoretical developments about the role of spins, electron-electron interactions, and spin-orbit coupling in metal nanoparticles and semiconductor quantum dots. For a closed system, in the absence of spin-orbit coupling or…
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…
The influence of spin-orbit interaction on chemical bonds in elemental solids and homonuclear dimers is analyzed by means of density-functional-theory calculations. Employing highly precise all-electron full-potential methodology, our…
We present a microscopic model for the anisotropic exchange interactions in Sr$_{2}$IrO$_{4}$. A direct construction of Wannier functions from first-principles calculations proves the $j_{\mathrm{eff}}$=1/2 character of the spin-orbit…
Iridate oxides on a honeycomb lattice are considered promising candidates for realization of quantum spin liquid states. We investigate the magnetic couplings in a structural model for a honeycomb iridate K$_2$IrO$_3$, with $C_3$ point…
We present a theory for the metal-insulator transition (MIT) in the quantum-spin-liquid candidate material Na4Ir3O8. We consider an extended Hubbard model on the hyperkagome lattice, which incorporates atomic spin-orbit coupling (SOC) and…
Kitaev's honeycomb spin-liquid model and its proposed realization in materials such as $\alpha$-RuCl$_3$, Li$_2$IrO$_3$ and Na$_2$IrO$_3$ continue to present open questions about how the dynamics of a spin-liquid are modified in the…
The three-dimensional frustrated spin lattice in MgCrGaO4, where Cr3+ ions occupy a pyrochlore-like network, exemplifies a quantum magnet with competing interactions, macroscopic degeneracy, and exotic low-energy excitations. Using…
The influence of the spin-orbit coupling on the magnetic structure of deposited transition metal nanostructure systems has been studied by fully relativistic electronic structure calculations. The interplay of exchange coupling and magnetic…
Motivated by recent experiments on Nd-langasite, we consider the effect of strong easy axis single-ion anisotropy $D$ on $S > 3/2$ spins interacting with antiferromagnetic exchange $J$ on the Kagome lattice. When $T \ll DS^2$, the collinear…
In this paper, we explore the relationship between strong spin-orbit coupling and spin liquid physics. We study a very general model on the triangular lattice where spin-orbit coupling leads to the presence of highly anisotropic…
We report inelastic neutron scattering measurements on Na2IrO3, a candidate for the Kitaev spin model on the honeycomb lattice. We observe spin-wave excitations below 5 meV with a dispersion that can be accounted for by including…
We study the antiferromagnetic spin-1/2 Heisenberg model on the highly frustrated, three-dimensional, hyperkagome lattice of Na_4Ir_3O_8 using a series expansion method. We propose a valence bond crystal with a 72 site unit cell as a ground…
We theoretically study the effects of spin-orbit coupling on spin exchange in a low-density Wigner crystal. In addition to the familiar antiferromagnetic Heisenberg exchange, we find general anisotropic interactions in spin space if the…