Related papers: Spin state transition and covalent bonding in LaCo…
Optical absorption and transverse Kerr effect spectra, resistivity and magnetoresistance of La$_{1-x}$Sr$_{x}$CoO$_3$ ($x=0.15, 0.25, 0.35$) films have been studied. The temperature dependencies of the optical and magneto-optical properties…
We present an ab initio quantum theory of the metal-insulator transition in Ti$_2$O$_3$. The recently developed cluster LDA+DMFT scheme is applied to describe the many-body features of this compound. The conventional single site DMFT cannot…
In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…
We develop a cluster dynamical mean field theory of the periodic Anderson model in three dimensions, taking a cluster of two sites as a basic reference frame. The mean field theory displays the basic features of the Doniach phase diagram: a…
We investigate the electronic structure of (Sr$_{1-x}$La$_x$)$_2$RhO$_4$ using a combination of the density functional and dynamical mean-field theories. Unlike the earlier local density approximation plus Hubbard $U$ (LDA+U) studies, we…
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.…
The pronounced enhancement of the effective mass is the primary phenomenon associated with strongly correlated electrons. In the presence of local moments, the large effective mass is thought to arise from Kondo coupling, the interaction…
In this work, we address the question of calculating the local effective Coulomb interaction matrix in materials with strong electronic Coulomb interactions from first principles. To this purpose, we implement the constrained random phase…
Examining phase stabilities and phase equilibria in strongly correlated materials asks for a next level in the many-body extensions to the local-density approximation (LDA) beyond mainly spectroscopic assessments. Here we put the…
We present a theory of spin and orbital states in Mott insulator $LaTiO_3$. The spin-orbital superexchange interaction between $d^1(t_{2g})$ ions in cubic crystal suffers from a pathological degeneracy of orbital states at classical level.…
When the ground state of a localized ion is a non-Kramers doublet, such localized ions may carry multipolar moments. For example, Pr$^{3+}$ ions in a cubic environment would possess quadrupolar and octupolar, but no magnetic dipole,…
We present an extension of the local moment approach to the Anderson impurity model with spin-dependent hybridization. By employing the two-self-energy description, as originally proposed by Logan and co-workers, we applied the symmetry…
The spin-boson (SB) model is a standard prototype for quantum dissipation, which we generalize in this work, to explore the dissipative effects on a one-dimensional spin-orbit (SO) coupled particle in the presence of a sub-ohmic bath. We…
The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density approximation + Hubbard U (LDA+U), pseudopotential self-interaction…
The Hubbard model in the strong-coupling regime is mainly studied by Kondo-lattice theory or 1/d expansion theory, with d the spatial dimensionality. In two dimensions and higher, the ground state within the Hilbert subspace with no order…
The electronic properties of excitonic insulators have been examined precisely in recent years. Pictures of exciton condensation may be applied to the spin-state transition observed in perovskite cobalt oxides. We examine the crystal-field…
We investigate the thermal properties of interacting spin-orbit coupled bosons with contact interactions in two spatial dimensions. To that end, we implement the complex Langevin method, motivated by the appearance of a sign problem, on a…
An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…
The subject of the present paper is the theoretical description of collective electronic excitations, i.e. spin waves, in the Hubbard-model. Starting with the widely used Random-Phase-Approximation, which combines Hartree-Fock theory with…
We present Co $L_3$-edge resonant inelastic x-ray scattering (RIXS) of bulk LaCoO$_3$ across the thermally-induced spin-state crossover around 100~K. Owing to a high energy resolution of 25~meV, we observe unambiguously the dispersion of…