Related papers: Comment on "Orbitally degenerate spin-1 model for …
Theory of dilution effect in orbital ordered system is presented. The $e_g$ orbital model without spin degree of freedom and the spin-orbital coupled model in a three-dimensional simple-cubic lattice are analyzed by the Monte-Carlo…
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…
Molecular magnets based on heavy transition metals have recently attracted significant interest in the quest for novel magnetic properties. For systems with an odd number of valence electrons per molecule, high or low molecular spin states…
High-spin systems with orbital degeneracy are studied in the large spin limit. In the absence of Hund's coupling, the classical spin model is mapped onto disconnected orbital systems with spins up and down, respectively. The ground state of…
We present powder and single crystal X-ray diffraction data as evidence for a monoclinic distortion in the low spin (S=0) and intermediate spin state (S=1) of LaCoO3. The alternation of short and long bonds in the ab plane indicates the…
We discuss the ground state of a pyrochlore lattice of threefold-orbitally-degenerate $S=1/2$ magnetic ions. We derive an effective spin-orbital Hamiltonian and show that the orbital degrees of freedom can modulate the spin exchange,…
When holes are doped into a Mott-Hubbard type insulator, like lightly doped manganites of the La(1-x)CaxMnO3 family, the cooperative Jahn-Teller distortions and the appearance of orbital ordering require an arrangement of Mn(3+)/Mn(4+) for…
A spin-orbital superexchange Hamiltonian in a Mott insulator with $t_{2g}$ orbital degeneracy is investigated. More specifically, we focus on a spin ferromagnetic state of the model and study a collective behavior of orbital angular…
Magnetic properties of stechiometric YTiO3 has been calculated within the single-ion-based paradigm taking into account the low-symmetry crystal field and the intra-atomic spin-orbit coupling of the Ti3+ ion. Despite of the very simplified…
We study the spin susceptibility of the orbital-singlet pairings, including the spin-triplet/orbital-singlet/$s$-wave $E_g$ representation proposed by Suh \textit{et al}., [H.\ G.\ Suh \textit{et al}., Phys.\ Rev.\ Research \textbf{2},…
The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with…
In a recent Letter (Phys. Rev. Lett. 106, 036401 (2011)), Lau, et al. investigated the single hole problem in an effective model containing Cu $d$ and O $2p$ orbitals by exact diagonalization on clusters composed of 32 CuO$_2$ unit cells.…
A general approach is derived for constructing an effective spin-orbit Hamiltonian for nonmagnetic materials, which is useful for calculating spin-dependent properties near an arbitrary point in momentum space with pseudospin degeneracy.…
We study the structural, magnetic, transport and electronic properties of LaCoO$_3$ with Sr/Nb co-substitution, i.e., La$_{(1-2x)}$Sr$_{2x}$Co$_{(1-x)}$Nb$_{x}$O$_3$ using x-ray and neutron diffraction, dc and ac-magnetization, neutron…
The electronic structure of the doped manganites Pr$_{1-x}$Ca$_x$MnO$_3$ was calculated by the LSDA+U method which takes into account the local Coulomb interaction between d-electrons of transition metal ions. In contrast to the standard…
The collective behavior of correlated electrons in the VO$_2-$interface layer of LaVO$_3$/SrTiO$_3$ heterostructure is studied within a quarter-filled $t_{2g}$-orbital Hubbard model on a square lattice. We argue that the ground state is…
Contrary to previous studies that classify Na2IrO3 as a realization of the Heisenberg-Kitaev model with dominant spin-orbit coupling, we show that this system represents a highly unusual case in which the electronic structure is dominated…
In this paper, a generalization of standard spin fluctuation theory is considered by replacing the simple Hubbard interaction by the screened Hartree-Fock interaction for f electrons. This model is then used in both an LS and a JJ coupling…
Motivated by studies of coexisting electron correlation and spin-orbit coupling effect in Na$_2$IrO$_3$ and a recent experiment of its 4d analogue Li$_2$RhO$_3$, we performed first-principles calculations of the rhodium oxide compound. The…
In this work, we study the doping effects on the magnetic states of CuCrO2 based on the classical frustrated spin model [Lin et al., Phys. Rev. B 89, 220405(R) (2014)]. Several experimental observations can be well reproduced by the Monte…