Related papers: Spin-Orbital Ordering in Alkali Superoxides
The chain-polymer Cu(II) breathing crystals C21H19CuF12N4O6 were studied using the x-ray diffraction and ab initio band structure calculations. We show that the crystal structure modification at T=146 K, associated with the spin crossover…
We present our theoretical results on the ground states in layered triangular-lattice compounds ANiO2 (A=Na, Li, Ag). To describe the interplay between charge, spin, orbital, and lattice degrees of freedom in these materials, we study a…
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise…
Recently, competing electronic instabilities, including superconductivity and density-wave-like order, have been discovered in vanadium-based kagome metals AV3Sb5 (A = K, Rb, Cs) with a nontrivial band topology. This finding stimulates wide…
Motivated by recent neutron scattering experiments, we derive and study an effective "pseudo-dipolar" spin-1/2 model for the XY pyrochlore antiferromagnet Er2Ti2O7. While a bond-dependent in-plane exchange anisotropy removes any continuous…
We use the three-dimensional Heisenberg model with site randomness as an effective model of the compound Sr(Fe$_{1-x}$Mn$_x$)O$_2$. The model consists of two types of ions that correspond to Fe and Mn ions. The nearest-neighbor interactions…
The double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…
Different types of order are discussed in the context of strongly correlated transition metal oxides, involving pure compounds and $3d^{3}-4d^{4}$ and $3d^{2}-4d^{4}$ hybrids. Apart from standard, long-range spin and orbital orders we…
CuFeO_2 is one of the multiferroic materials and is the first case that the electric polarization is not explained by the magnetostriction model or the spin-current model. We have studied this material using soft x-ray resonant diffraction…
We investigate the highly frustrated spin and orbital superexchange interactions in cubic vanadates. The fluctuations of $t_{2g}$ orbitals trigger a {\it novel mechanism of ferromagnetic interactions} between spins S=1 of V$^{3+}$ ions…
We explore orbital dynamics in the spin liquid candidate Ba3CuSb2O9 using multi-frequency electron spin resonance. We prepared two high quality single crystals. The crystal with a slight copper deficiency shows a structural phase transition…
The electronic structures of the cubic and tetragonal $\mathrm{MnV}_2\mathrm{O}_4$ have been studied by using hybrid-exchange density functional theory. The computed electronic structure of the tetragonal phase shows an anti-ferro orbital…
The origin of successive phase transitions observed in the layered perovskite $\alpha$-Sr$_2$CrO$_4$ is studied by the density-functional-theory-based electronic structure calculation and mean-field analysis of the proposed low-energy…
We report on a dynamical mean-field theoretical analysis of emerging low-temperature phases in multicomponent gases of fermionic alkaline-earth(-like) atoms in state-dependent optical lattices. Using the example of $^{173}$Yb atoms, we show…
Recent spectroscopic observations of a d-wave-like gap in stripe-ordered La(2-x)Ba(x)CuO(4) with x=1/8 have led us to critically analyze the anisotropic transport and magnetization properties of this material. The data suggest that…
We formulate and study a spin-orbital model for a family of cubic double perovskites with $d^1$ ions occupying a frustrated fcc sublattice. A variational approach and a complimentary analytical analysis reveal a rich variety of phases…
Results of the nuclear resonance experiments for the planar Cu sites in PrBa2Cu4O8 are presented. The NMR spectrum at 1.5 K in zero magnetic field revealed an internal field of 6.1 T, providing evidence for an antiferromagnetic order of the…
We report polarized and unpolarized neutron scattering measurements of the magnetic order in single crystals of Na0.5CoO2. Our data indicate that below T_N=88 K the spins form a novel antiferromagnetic pattern within the CoO2 planes,…
In strongly correlated electronic systems, several novel physical properties are induced by the orbital degree of freedom. In particular, orbital degeneracy near the Fermi level leads to spontaneous symmetry breaking, such as the nematic…
Novel electronic states resulting from entangled spin and orbital degrees of freedom are hallmarks of strongly correlated f-electron systems. A spectacular example is the so-called 'hidden-order' phase transition in the heavy-electron metal…