Related papers: Orbital ordering in cubic LaMnO3 from first princi…

In the manganite Nd0.5Ca0.5MnO3, charge ordering occurs at much higher temperature than the antiferromagnetic order (TCO=250K,TN=160K). The magnetic behavior of the phase TN<T<TCO is puzzling: its magnetization and susceptibility are…

Orbital-related physics attracts growing interest in condensed matter research, but direct real-space access of the orbital degree of freedom is challenging. Here we report a first, real-space, imaging of a surface- assisted orbital ordered…

A promising route to tailoring the electronic properties of quantum materials and devices rests on the idea of orbital engineering in multilayered oxide heterostructures. Here we show that the interplay of interlayer charge imbalance and…

The ground state and excited state properties of the perovskite LaMnO$_3$ are calculated based on the generalized-gradient-corrected relativistic full-potential method. The electronic structure, magnetism and energetics of various spin…

Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method.…

Combining GGA-plane wave approach as implemented into the VASP - 4.6.19 computer code with a slab model, we studied in detail the atomic and electronic structure of the LaMnO3 surfaces, in both cubic and orthorhombic phases. The results…

The complex metal oxide Mn3TeO6 exhibits a corundum related structure and has been prepared both in forms of single crystals by chemical transport reactions and of polycrystalline powders by a solid state reaction route. The crystal…

The correlated 3d sulphide BaVS3 undergoes a sequence of three symmetry breaking transitions which are reflected in the temperature dependence of the magnetic susceptibility, and its anisotropy. We introduce a microscopic model based on the…

Motivated by the puzzling report of the observation of a ferromagnetic insulating state in LaMnO$_3$/SrTiO$_3$ heterostructures, we calculate the electronic and magnetic state of LaMnO$_3$, coherently matched to a SrTiO$_3$ square substrate…

We report evidence for phase coexistence of orbital orderings of different symmetry in SmVO$_3$ by high resolution X-Ray powder diffraction. The phase coexistence is triggered by an antiferromagnetic ordering of the vanadium spins near…

New metal-ordered manganites RBaMn_{2}O_{6} have been synthesized and investigated in the structures and electromagnetic properties. RBaMn_{2}O_{6} can be classified into three groups from the structural and electromagnetic properties. The…

Using the multi-band $d-p$ model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional VO$_3$ lattice. The main aim of this investigation is testing if simple $d-p$…

The crystallographic and magnetic phase diagram of the n=2 layered manganite La2-2xSr1+2xMn2O7 in the region x=>0.5 has been studied using temperature dependent neutron powder diffraction. The magnetic phase diagram reveals a progression of…

We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has…

Resonant soft X-ray scattering was used to determine the presence of more subtle orderings not detected in standard structural analyses. By tuning to specific Co absorption edges, arrangements particular to the electronic states of those…

MgV$_{2}$O$_{4}$ is a spinel based on magnetic V$^{3+}$ ions which host both spin ($S=1$) and orbital ($l_{eff}=1$) moments. Owing to the underlying pyrochlore coordination of the magnetic sites, the spins in MgV$_{2}$O$_{4}$ only…

We use the temperature of the structural phase transition to determine the Jahn-Teller (JT) coupling constant in the model derived for LaMnO$_3$ which includes both the superexchange between S=2 spins and the JT effect. We also investigate…

We have performed calculations of the electronic structure of LaCoO3 from first principles, assuming the atomistic construction of matter and the electrostatic origin of the crystal-field splitting. In our atomic-like approach QUASST the d…

A partial disorder on a layered triangular lattice is theoretically investigated from a viewpoint of toroidal ordering and magnetoelectric effects. We consider an extended periodic Anderson model including a site-dependent antisymmetric…

We report an x-ray scattering study of octahedral tilt ordering in the manganite series Pr$_{1-x}$Ca$_x$MnO$_3$ with x=0.4 and 0.25 and in LaMnO$_3$. The sensitivity to tilt ordering is achieved by tuning the incident x-ray energy to the…