Related papers: Renormalized spectral function for Co adatom on th…
We calculate the conductance spectra of a Co atom adsorbed on Cu(111), considering the Co $3d$ orbitals within a correlated multiple configurations model interacting through the substrate band with the Co $4s$ orbital, which is treated in a…
The magnetic and non-magnetic ground states of the periodic Anderson model with Coulomb interaction between $f$-electrons on the nearest-neighbour(NN) sites are investigated using a variational method, which gives exact calculation of the…
We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to…
The Anderson impurity model for Kondo problem is investigated for arbitrary orbit-spin degeneracy $N$ of the magnetic impurity by the equation of motion method (EOM). By employing a new decoupling scheme, a set self-consistent equations for…
We study the effects of the exchange interaction between an adsorbed magnetic atom with easy-axis magnetic anisotropy and the conduction-band electrons from the substrate. We model the system using an anisotropic Kondo model and we compute…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
We employ the dynamical mean-field approximation to study the magnetic properties of a model relevant for the dilute magnetic semiconductors. Our model includes the spin-orbit coupling on the hole bands, the exchange interaction, and the…
We consider the spatial spin correlations around a partially screened spin-1 magnetic moment in a metal exhibiting the underscreened Kondo effect. We find that the underscreening of the impurity spin results in spatial spin correlations…
We present results of the magneto-crystalline anisotropy energy (MAE) calculations for chemically ordered $L1_0$ CoPt and FePt alloys taking into account the effects of strong electronic correlations and spin-orbit coupling. The local spin…
In this paper I give a detailed account of an ab initio methodology for describing strong electronic correlations in nanoscale devices hosting transition metal atoms with open $d$- or $f$-shells. The method combines Kohn-Sham Density…
We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each…
A spin-1/2 Anderson impurity in a semiconductor quantum well with Rashba and Dresselhaus spin-orbit couplings is studied by using a variational wave function method. The local magnetic moment is found to be quenched at low temperatures. The…
The zero-bias anomaly in conductance spectra of single Co atoms on Cu(111) observed at $\approx$ 4 K, which has been interpreted as being due to a Kondo resonance, is strongly modified when the Co atoms are attached to monatomic Cu chains.…
We theoretically describe the spin excitation spectrum of a two dimensional electron gas embedded in a quantum well with localized magnetic impurities. Compared to the previous work, we introduce equations that allow to consider the…
We computed spin wave dispersions of surface-reconstructed Co films on the W(110) surface in the adiabatic approximation. The magnetic exchange interactions are obtained via first-principles electronic structure calculations using the…
The influence of spin-orbit interactions on the Kondo effect has been under debate recently. Studies conducted recently on a system composed by an Anderson impurity on a 2DEG with Rashba spin-orbit have been shown that it can enhance or…
Coulomb correlations in the optical spectra of semiconductor quantum dots are investigated using a full-diagonalization approach. The resulting multi-exciton spectra are discussed in terms of the symmetry of the involved states.…
In strongly correlated systems the strength of Coulomb interactions between electrons, relative to their kinetic energy, plays a central role in determining their emergent quantum mechanical phases. We perform resonant x-ray scattering on…
We have developed a multi-orbital approach to compute the electronic structure of a quantum impurity using the non-crossing approximation. The calculation starts with a mean-field evaluation of the system's electronic structure using a…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…