Related papers: Spin-orbital order in LaMnO$_3$: $d-p$ model study
Density functional band calculations have been performed to study LaNiO$_3$/LaAlO$_3$ superlattices. Motivated by recent experiments reporting the magnetic and metal-insulator phase transition as a function of LaNiO$_3$ layer thickness, we…
Interplay of spin-orbit coupling and vibronic coupling on heavy $d^1$ site of cubic double perovskites is investigated by ab initio calculations. The stabilization energy of spin-orbital-lattice entangled states is found comparable to or…
We investigate the origin of the orbital ordering in the paramagnetic phase of KCrF$_3$. All previous studies described structural parameters of the paramagnetic phase using a magnetic ordering in the compound. Our simulations of real…
The crystal structure and the magnetism of BaMn$_2$O$_3$ have been studied by thermodynamic and by diffraction techniques using large single crystals and powders. BaMn$_2$O$_3$ is a realization of a $S = 5/2$ spin ladder as the magnetic…
We investigate the magnetic ground state and phase transitions in the frustrated three-dimensional system CaMn2P2 using first-principles calculations combined with spin-dynamics simulations. Our DFT+U calculations reveal that CaMn2P2…
Motivated by the recent neutron diffraction experiment on $YVO_3$, we consider a microscopic model where each $V^{3+}$ ion is occupied by two 3d electrons of parallel spins with two fold degenerate orbital configurations. The mean field…
We present a combined study of Ni $K$-edge resonant x-ray scattering and density functional calculations to probe and distinguish electronically driven ordering and lattice distortions in nickelate heterostructures. We demonstrate that due…
Based on density functional calculations, we propose a possible orbital ordering in MnV2O4 which consists of orbital chains running along crystallographic a and b directions with orbitals rotated alternatively by about 45 degrees within…
A gas of strongly interacting spinless p-orbital fermionic atoms in 2D optical lattices is proposed and studied. Several interesting new features are found. In the Mott limit on a square lattice, the gas is found to be described effectively…
From low-temperature Synchrotron X-ray diffraction, a precise thermal characterization of octahedral distortions in single phase Ruddlesden-Popper Ca3Mn2O7 is performed. Highly sensitive close-steps temperature dependences of Mn-O-Mn bond…
Dielectric and magnetic phenomena in spin and charge frustrated system RFe2O4 (R is a rare-earth metal ion) are studied. An electronic model for charge, spin and orbital degrees in a pair of triangular-lattice planes is derived. We analyze…
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…
We investigate the influence of spin-orbit coupling $\lambda$ in strongly-correlated multiorbital systems that we describe by a three-orbital Hubbard-Kanamori model on a Bethe lattice. We solve the problem at all integer fillings $N$ with…
We study the symmetry-broken phases in two- and three-orbital Hubbard models with lifted orbital degeneracy using dynamical mean field theory. On the technical level, we explain how symmetry relations can be exploited to measure the…
We study the manganese oxides from the viewpoint of the strongly correlated doped Mott insulator. The magnetic ordering and the charge transport are governed by the orbital degrees of freedom, and their dimensionality is controlled by the…
We have studied the orbital ordering (OO) in La0.5Sr1.5MnO4 and its soft x-ray resonant diffraction spectroscopic signature at the Mn L2, L3 edges. We have modelled the system in second quantization as a small planar cluster consisting of a…
The magnetic and electronic modifications induced at the interfaces in (SrMnO$_{3}$)$_{n}$/(LaMnO$_{3}$)$_{2n}$ superlattices have been investigated by linear and circular magnetic dichroism in the Mn L$_{2,3}$ x-ray absorption spectra.…
We present the results of our theoretical study on the effects of geometrical frustration and the interplay between spin and orbital degrees of freedom in vanadium spinel oxides $A$V$_2$O$_4$ ($A$ = Zn, Mg or Cd). Introducing an effective…
We have experimentally found related anomalies in electrical resistivity, dc and ac magnetic susceptibility, appearing deeply within ferromagnetically ordered state in SrRuO3. Lack of Jahn-Teller distortion in this regime rules out…
We study the $3d$ substitution in $4d$ transition metal oxides in the cases of $3d^3$ doping at either $3d^2$ or $4d^4$ sites which realize orbital dilution. We derive the effective $3d-4d$ (or $3d-3d$) superexchange in a Mott insulator…