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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…
Effects of possible orbital order in magnetic properties of two-dimensional spin gap system for CaV$_4$O$_9$ are investigated theoretically. After analyzing experimental data, we show that single orbital models assumed in the literature are…
We use exact diagonalization combined with mean-field theory to investigate the phase diagram of the spin-orbital model for cubic vanadates. The spin-orbit coupling competes with Hund's exchange and triggers a novel phase, with the ordering…
We employ the Gutzwiller variational approach to investigate the interplay of Coulomb interaction and spin-orbit coupling in a three-orbital Hubbard model. Already in the paramagnetic phase we find a substantial renormalization of the…
The study of the interaction between superconductivity and charge ordering is helpful to resolve the pairing mechanism in high-temperature superconductors. Recently, several resistance oscillations studies trigger the speculation that a…
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field…
Mott insulators based on $4d$ and $5d$ transition-metal ions, where spin-orbit interaction plays a key role, can exhibit various forms of unusual magnetism. A particular example is the antiferromagnet Ca$_2$RuO$_4$ containing $d^4$…
We study the effect of the Coulomb interaction on the local density of states (LDOS) and its Fourier component in disordered cuprates. It is shown that the Coulomb interaction suppresses strongly the maximum value of the LDOS induced by the…
If spin liquids have been famously defined by what they are not, i.e. ordered, the past years have seen the frontier between order and spin liquid starting to fade, with a growing number of materials whose low-temperature physics cannot be…
A model of localized classical electrons coupled to lattice degrees of freedom and, via the Coulomb interaction, to each other, has been studied to gain insight into the charge and orbital ordering observed in lightly doped manganese…
The interplay of spin-orbit interactions and Coulomb correlations has become a hot topic in condensed matter theory. Here, we review recent advances in dynamical mean-field theory-based electronic structure calculations for iridates and…
The electron-doping-driven collapse of the charge gap and staggered magnetization of the spin-orbit-assisted Mott insulator Sr$_{3}$Ir$_{2}$O$_{7}$ is explored via first-principles computational methods. In the antiferromagnetic phase, the…
An orbital ordering, often observed in Mott insulators with orbital degeneracy, is usually supposed to disappear with doping, e.g. in the ferromagnetic metallic phase of manganites. We propose that the orbital ordering of a novel type may…
We present a valence transition model for electron- and hole-doped cuprates, within which there occurs a discrete jump in ionicity Cu$^{2+} \to$ Cu$^{1+}$ upon doping, at or near optimal doping in the electron-doped compounds and at the…
We investigate the effects of the $\sqrt{5}\times\sqrt{5}$ Fe vacancy ordering on the orbital and magnetic order in (K,Tl,Cs)$_y$Fe$_{2-x}$Se$_2$ using a three-orbital ($t_{2g}$) tight-binding Hamiltonian with generalized Hubbard…
Oxides with $4d$/$5d$ transition metal ions are physically interesting for their particular crystalline structures as well as the spin-orbit coupled electronic structures. Recent experiments revealed a series of $4d$/$5d$ transition metal…
The role of the multiorbital effects on the emergence of frustrated electronic orders on the triangular lattice at half filling is investigated through an extended spinless fermion Hubbard model. By using two complementary approaches,…
Strongly anisotropic spin-orbit coupling (SOC) renormalization and strongly enhanced orbital magnetic moments are obtained in the fully self consistent approach including the orbital off-diagonal spin and charge condensates. For moderate…
Analysis of higher-order correlation functions has become a powerful tool for investigating interacting many-body systems in quantum simulators, such as quantum gas microscopes. Experimental measurements of mixed spin-charge correlation…
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…