486 citations · 1.6k across the 26 of their papers we have counts for
26 papers
Electron correlation effects in paramagnetic cobalt
A. S. Belozerov, V. I. Anisimov
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. T…
Transition from Pauli paramagnetism to Curie-Weiss behaviour in vanadium
A. S. Belozerov, A. A. Katanin, V. I. Anisimov
We study electron correlations and their impact on magnetic properties of bcc vanadium by a combination of density functional and dynamical mean-field theory. The calculated unifor…
Coulomb correlations and magnetic properties of L1 FeCo: a DFT+DMFT study
A. S. Belozerov, A. A. Katanin, V. I. Anisimov
We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1 structure) being a promising can…
Interplay between lattice, orbital, and magnetic degrees of freedom in the chain-polymer Cu(II) breathing crystals
S. V. Streltsov, M. V. Petrova, V. A. Morozov +3
The chain-polymer Cu(II) breathing crystals C21H19CuF12N4O6 were studied using the x-ray diffraction and ab initio band structure calculations. We show that the crystal structure m…
Spin state transition and covalent bonding in LaCoO3
V. Křápek, P. Novák, J. Kuneš +3
We use the dynamical mean-field theory to study a p-d Hubbard Hamiltonian for LaCoO3 derived from ab initio calculations in local density approximation (LDA+DMFT scheme). We addres…
Renormalized spectral function for Co adatom on the Pt(111) surface
V. V. Mazurenko, S. N. Iskakov, A. N. Rudenko +2
The strong Coulomb correlations effects in the electronic structure of magnetic Co adatom on the Pt(111) surface have been investigated. Using a realistic five d-orbital impurity A…