Related papers: Orbital Correlations in the Ferromagnetic Half-Met…
We study the influence of Coulomb correlations on spectral and magnetic properties of fcc cobalt using a combination of density functional theory and dynamical mean-field theory. The computed uniform and local magnetic susceptibilities obey…
A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…
We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of CaFe2As2 by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While…
We study a quasi two dimensional dipolar gas at finite, but ultralow temperatures using the classical field approximation. The method, already used for a contact interacting gas, is extended here to samples with a weakly interacting…
Half-metallic ferromagnets like the full Heusler compounds with formula X$_2$YZ are supposed to show an integer value of the spin magnetic moment. Calculations reveal in certain cases of X = Co based compounds non-integer values, in…
This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…
Band structure calculations of CrO2 carried out in the LSDA+U approach reveal a clear picture of the physics behind the metallic ferromagnetic properties. Arguments are presented that the metallic ferromagnetic oxide CrO2 belongs to a class…
Using three correlated band approaches, namely the conventional band approach plus on-site Coulomb repulsion $U$, the modified Becke-Johnson functional, and hybrid functional, we have investigated inverse-Heusler ferrimagnets Cr$_2$Co${\cal…
Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
The "density-density" correlation function of conduction electrons in metal is investigated. It is shown, that the asymptotic behaviour of the CF depends on the shape and the local geometry of the Fermi surface. In particular, the exponent…
Electronic properties of the metallic pyrochlore oxide Cd2Re2O7 are studied by means of electrical resistivity and Hall measurements. Semimetallic band structures are revealed as expected from band structure calculations. It is found that…
We study the long-range Coulomb interaction effects on the double-Weyl fermion system which is possibly realized in the three dimensional semimetal HgCr$_2$Se$_4$ in the ferromagnetic phase. Within the one-loop renormalization group…
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 archetypical strongly correlated Mott-phenomena compound V2O3 is known to show a paramagnetic metal-insulator transition driven by doping with chromium atoms and/or (negative) pressure. Via charge self-consistent density-functional…
Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently…
In the past decade, natural orbital functional (NOF) approximations have emerged as prominent tools for characterizing electron correlation. Despite their effectiveness, these approaches, which rely on natural orbitals and their associated…
Understanding and predicting the dominant diffusion processes in Cr2O3 is essential to its optimization for anti-corrosion coatings, spintronics, and other applications. Despite significant theoretical effort in modeling defect mediated…
We analyze the influence of different on-site and inter-site interactions on the Curie temperature of transition metal magnetic elements. The numerical calculations show the well known result that the on-site Coulomb repulsion helps…
Background: Quantum Chromodynamics is expected to have a phase transition in the same static universality class as the 3D Ising model and the liquid-gas phase transition. The properties of the equation of state, the transport coefficients,…