Related papers: Modeling multiorbital effects in Sr2IrO4 under str…
Orthorhombic SrIrO3 subjected to strain show tunable transport properties. With underlying symmetry remaining invariant, these properties are associated with IrO6 octahedral tilting. Adopting to first-principles methods, the effects of…
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…
Frustrated transition metal compounds in which spin-orbit coupling (SOC) and electron correlation work together have attracted much attention recently. In the case of 5$d$ transition metals, where SOC is large, $j_\text{eff}=1/2$ bands near…
The magnetic phase diagram and the thermodynamic properties of a square lattice containing antiferromagnetically coupled spin-1/2 triangles are studied. A Heisenberg Hamiltonian with three strong intra-triangle exchange coupling constants…
The vibrational modes in Sr$_2$RuO$_4$ easily induce octahedral rotations without tilting. Being on the verge of a magnetic instability, such propensity of octahedral rotation may also produce magnetic fluctuations. In this work, we analyze…
The nondegenerate two-orbital Hubbard model is studied within the dynamic mean-field theory to reveal the influence of two important factors, i.e. crystal field splitting and interorbital hopping, on orbital selective Mott transition (OSMT)…
We study theoretically low-temperature phases of a recently synthesized compound Sr$_2$CoO$_3$F under pressure. The analysis combining LDA+DMFT and a strong-coupling effective model points to the existence of not only normal paramagnetic…
We propose the realization of linear crystals of cold ions which contain different atomic species for investigating quantum phase transitions and frustration effects in spin system beyond the commonly discussed case of $s=1/2$. Mutual…
The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram…
We formulate a superexchange theory of insulating double-perovskite compounds such as Sr$_2$FeWO$_6$. An effective spin-orbital Hamiltonian is derived in the strong coupling limit of Hubbard model for d-electrons on Fe and W ions. The…
We show that the metamagnetic transition in Sr$_4$Ru$_3$O$_{10}$ bifurcates into two transitions as the field is rotated away from the conducting planes. This two-step process comprises partial or total alignment of moments in ferromagnetic…
We investigate the spin and orbital correlations of a superexchange model with spin $S=1$ and orbital $L=1$ relevant for $5d^4$ transition metal Mott insulators, using exact diagonalization and density matrix renormalization group (DMRG).…
The competition between spin-orbit coupling, bandwidth ($W$) and electron-electron interaction ($U$) makes iridates highly susceptible to small external perturbations, which can trigger the onset of novel types of electronic and magnetic…
The spin-orbit entangled (SOE) Jeff-state has been a fertile ground to study novel quantum phenomena. Contrary to the conventional weakly correlated Jeff=1/2 state of 4d and 5d transition metal compounds, the ground state of CuAl2O4 hosts a…
We propose a general scheme to probe the compatibility of arbitrary pairing states with a given normal state Hamiltonian by the introduction of a concept called superconducting fitness. This new quantity gives a direct measure of the…
Using the coupled cluster method (CCM) we study the full (zero-temperature) ground-state (GS) phase diagram of a spin-half ($s=1/2$) $J_{1}$-$J_{2}$ Heisenberg model on a cross-striped square lattice. Each site of the square lattice has 4…
The two-dimensional layered perovskite Sr2IrO4 was proposed to be a spin-orbit Mott insulator, where the effect of Hubbard interaction is amplified on a narrow J_{eff} = 1/2 band due to strong spin-orbit coupling. On the other hand, the…
We carry out \textit{ab initio} study of ground state phase diagram of spin-1/2 cold fermionic atoms within two-fold degenerate $p$-band of an anisotropic optical lattice. Using the Gutzwiller variational approach, we show that a robust…
Magnetic properties of AMoOPO$_4$Cl (A = K, Rb) with Mo$^{5+}$ ions in the 4$d^1$ electronic configuration are investigated by magnetization, heat capacity and NMR measurements on single crystals, combined with powder neutron diffraction…
Neutron diffraction measurements are presented exploring the magnetic and structural phase behaviors of the candidate J$_{eff}=1/2$ Mott insulating iridate Sr$_2$IrO$_4$. Comparisons are drawn between the correlated magnetism in this single…