Related papers: Correlated hybridization in transition metal compl…
We study the spin-1/2 single-channel Anderson impurity model with correlated (occupancy dependent) hybridization for molecular transistors using the numerical renormalization-group method. Correlated hybridization can induce nonuniversal…
In a magnetic multilayer, the spin transfer between localized magnetization dynamics and itinerant conduction spin arises from the interaction between a normal metal and an adjacent ferromagnetic layer. The spin-mixing conductance then…
Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit part of the effective Hamiltonian.…
In this work we discuss the occurrence of ferromagnetism in transition-like metals. The metal is represented by two hybridized($V$) and shifted $(\epsilon_s$) bands one of which includes Hubbard correlation whereas the other is…
Correlations derived through single-particle approximations of the many-body problem frequently result in erroneously inflated or diminished physical properties. In the context of transition metals, the impact of correlations can be…
The magnetic properties of transition-like metals are discussed within the single site approximation, which is a picture to take into account electron correlations. The metal is described by two hybridized bands one of which includes…
We study the non-degenerate one dimensional two-orbital Hubbard model with interorbital Coulomb interaction. By means of the density-matrix renormalization group technique, we calculate the local single-particle density of states and the…
The Roth's two-pole approximation has been used by the present authors to study the effects of the hybridization in the superconducting properties of a strongly correlated electron system. The model used is the extended Hubbard model which…
Metals with values of the resistivity and the Hall coefficient much larger than typical ones, e.g., of sodium, are called semimetals. We suggest a model for semimetals which takes into account the strong Coulomb repulsion of the charge…
In this study, we present a systematic comparison of various approaches within the constrained random-phase approximation (cRPA) for calculating the Coulomb interaction parameter $U$. While defining the correlated space is straightforward…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an inter-orbital hopping (inter-band hybridization). Both terms are relevant to the realistic…
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…
We investigate the influence of s-d or p-d hybridization to d-band ferromagnetism to estimate the importance of hybridization for the magnetic properties of transition metals. To focus our attention to the interplay between hybridization…
We present a microscopic description of molecular magnets by the multi-orbital Hubbard model, which includes the correlated hopping term, i.e. the dependence of electron hopping amplitude between orbitals on the degree of their occupancy.…
We investigate the periodic Anderson model composed of an itinerant $c$-band and a strongly localized $f$-band, featuring on-site electron-electron interactions in the $f$-orbitals. The two bands interact via a hybridization term with…
Electronic properties of spin polarized antiferromagnetic ACrO3 (A = La, Y) are explored with Hubbard Model using Density Functional Theory (DFT). These two isostructural systems are investigated using the different Hubbard energy and…
We demonstrate the application of orbital k-space tomography for the analysis of the bonding occurring at metal-organic interfaces. Using angle-resolved photoelectron spectroscopy (ARPES), we probe the spatial structure of the highest…
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…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…