Related papers: Orbital Ordering in Paramagnetic LaMnO3 and KCuF3
We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor…
The quasi 2-d spin 1/2 materials CaV_nO_2n+1 (n=2,3,4) are often treated as systems in which quantum effects play a dominant role: CaV_2O_5 has a spin gap and is thought to be a spin ladder; CaV_3O_7 has unusual long-range magnetic order…
Basic mechanisms controlling orbital order and orbital fluctuations in transition metal oxides are discussed. The lattice driven classical orbital picture, e.g. like in manganites LaMnO$_3$, is contrasted to the quantum behavior of orbitals…
We use the LDA+U method to study the possibility of exciton condensation in perovskites of transition metals with $d^6$ electronic configuration such as LaCoO$_3$. For realistic interaction parameters we find several distinct solutions…
The absence of both spin freezing and of a static Jahn-Teller effect have lead to the proposition that Ba$_3$CuSb$_2$O$_9$ is a quantum spin-orbital liquid. However, theoretical understanding of the microscopic origin of this behavior has…
We present electronic structure calculations for the one-dimensional magnetic chain compounds Ca_3CoRhO_6 and Ca_3FeRhO_6. The calculations are based on density functional theory and the local density approximation. We use the augmented…
The incompatibility of partial d occupation on the perovskite B-site with the standard charge transfer mechanism for ferroelectricity has been a central paradigm in multiferroics research. Nevertheless, it was recently shown by density…
Rich functionalities of transition-metal oxides and their interfaces bear an enormous technological potential. Its realization in practical devices requires, however, a significant improvement of yet relatively low electron mobility in…
We present the discovery and refinement by neutron powder diffraction of a new magnetic phase in the Na1-xCaxMn7O12 quadruple perovskite phase diagram, which is the incommensurate analogue of the well-known pseudo-CE phase of the simple…
We report the magnetic and electronic properties of the bilayer ruthenate Sr$_3$Ru$_2$O$_7$ upon Fe substitution for Ru. We find that Sr$_3$(Ru$_{1-x}$Fe$_x$)$_2$O$_7$ shows a spin-glass-like phase below 4 K for $x$ = 0.01 and commensurate…
Orthorhombically distorted perovskite manganites, RMnO3 with R being a trivalent rare-earth ion, exhibit a variety of magnetic and electric phases including multiferroic (i.e. concurrently magnetic and ferroelectric) phases and fascinating…
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…
The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from…
We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted orbital-spin ordered state, where charge, spin…
The unequal electronic occupation of localized orbitals (orbital polarization), and associated lowering of symmetry and degeneracy, play an important role in the properties of transition metal oxides. Here, we examine systematically the…
The antiferromagnetic - ferromagnetic phase transition in YBaCo2O5.50 and YBaCo2O5.44 cobaltites with different types of oxygen-ion ordering in the [YO0.5/0.44] layers has been studied by neutron powder diffraction. Using the magnetic…
The evolution of charge and orbital ordering phenomena in optimally-doped \textit{RE}\textsubscript{5/8}Ca\textsubscript{3/8}MnO\textsubscript{3} (RECMO, \textit{RE} $=$ rare-earth) manganite perovskites has been investigated through…
The crystal and magnetic structure of LaTiO3 ~ has been studied by x-ray and neutron diffraction techniques using nearly stoichiometric samples. We find a strong structural anomaly near the antiferromagnetic ordering, T$_N$=146 K. In…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
We consider theoretically the paramagnetic phases of EuTiO3 that represent configurations created by two sets of microscopic degrees of freedom (m-DOF): positional symmetry breaking due to octahedral rotations and magnetic symmetry breaking…