Related papers: Orbital order, stacking defects and spin-fluctuati…
A generic Hamiltonian, which incorporates the effect of the orbital contraction on the hopping amplitude between the nearest sites, is studied both analytically at the weak coupling limit and numerically at the intermediate and strong…
We study the ground state quantum spin fluctuations around the N\'eel ordered state for the one-band ($t,U$) Hubbard model on a site-diluted square lattice. An effective spin Hamiltonian, $H_{\rm s}^{(4)}$, is generated using the canonical…
We consider the orbital ordering in LaMnO3 and similar systems, proceeding from the band picture. We show that for the realistic magnetic structure of A-type there exists a complete nesting betweeen two e_g-bands. As a result there occurs…
Using maximally localized Wannier functions obtained from DFT calculations, we derive an effective Hubbard Hamiltonian for a bilayer of Sr$_3$Cr$_2$O$_7$, the $n=2$ member of the Ruddlesden-Popper Sr$_{n+1}$Cr$_n$O$_{3n+1}$ system. The…
Orbital differentiation is a common theme in multiorbital systems, yet a complete understanding of it is still missing. Here, we consider a minimal model for orbital differentiation in Hund metals with a highly accurate method: We use the…
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…
Akali superoxides AO2 (A=Na, K, Rb, Cs), due to an open p shell of the oxygen ion O2^- with degenerate pi orbitals, have spin and orbital degrees of freedom. The complex magnetic, orbital, and structural phase transitions observed…
We use the Gutzwiller variational many-body theory to investigate the stability of orbitally ordered states in a two-band Hubbard-model without spin degrees of freedom. Our results differ significantly from earlier Hartree-Fock calculations…
In a form which include the mother compound, we studied the extended Hubbard-type model with the orbital degeneracy for any doping concentration. Meanfield phase diagram and the spin wave excitation in RPA are calculated. It turned out that…
Motivated by recent neutron and x-ray observations in V$_2$O$_3$, we derive the effective Hamiltonian in the strong coupling limit of an Hubbard model with three degenerate t_{2g} states containing two electrons coupled to spin S = 1, and…
A general multi-orbital Hubbard model, which includes on-site inter-orbital electron hoppings, is introduced and studied. It is shown that the on-site inter-orbital single electron hopping is one of the most basic interactions. Two electron…
Quantum phase transitions in the two-dimensional Kugel-Khomski model on a square lattice are studied using the plaquette mean field theory and the entanglement renormalization ansatz. When $3z^2-r^2$ orbitals are favored by the crystal…
We investigate the ground-state properties of the one-dimensional two-band Hubbard model with different bandwidths. The density-matrix renormalization group method is applied to calculate the averaged electron occupancies $n$ as a function…
A possible mechanism for the removal of the orbital degeneracy in RTiO3 (where R=La, Y, ...) is considered. The calculation is based on the Kugel-Khomskii Hamiltonian for electrons residing in the t2g orbitals of the Ti ions, and uses a…
We investigate the general structure of orbital exchange physics in Mott-insulating states of $p$-orbital systems in optical lattices. Orbital orders occur in both the triangular and Kagome lattices. In contrast, orbital exchange in the…
The effective Hamiltonian for perovskite titanates is derived by taking into account the three-fold degeneracy of $t_{2g}$ orbitals and the strong electron-electron interactions. The magnetic and orbital ordered phases are studied in the…
Neutron scattering was used to determine the spin structure and the magnon spectrum of the Mott--Hubbard insulator YTiO$_3$. The magnetic structure is complex, comprising substantial G-type and A-type antiferromagnetic components in…
We present a general theory of multiorbital spin waves in magnetically ordered metallic systems. Motivated by the itinerant magnetism of iron-based superconductors, we compare the magnetic excitations for two different scenarios: when the…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
We present the theory of orbital ordering in orbital-degenerate itinerant electron systems. After proposing the criterion of instability for orbital ordering or orbital density wave ordering, we find that the orbital and the spin-orbital…