50 citations · 239 across the 17 of their papers we have counts for
17 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…
Exchange interactions in iron and nickel: DFT+DMFT study in paramagnetic phase
A. A. Katanin, A. S. Belozerov, A. I. Lichtenstein +1
We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic p…
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…
Itinerant magnetism of chromium under pressure: a DFT+DMFT study
A. S. Belozerov, A. A. Katanin, V. I. Anisimov
We consider electronic and magnetic properties of chromium, a well-known itinerant antiferromagnet, by a combination of density functional theory (DFT) and dynamical mean-field the…
Electronic correlation effects and local magnetic moments in L1 phase of FeNi
A. S. Belozerov, A. A. Katanin, V. I. Anisimov
We study the electronic and magnetic properties of L1 phase of FeNi, a perspective rare-earth-free permanent magnet, by using a combination of density functional and dynamical…
Magnetic fluctuations and superconducting pairing in -iron
A. S. Belozerov, A. A. Katanin, V. Yu. Irkhin +1
We study Coulomb correlation effects and their role in superconductivity of -iron under pressure from 12 to 33 GPa by using a combination of density functional and dyn…
Unusual Mott transition associated with charge-order melting in BiNiO under pressure
I. Leonov, A. S. Belozerov, S. L. Skornyakov
We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a com…
Magnetic exchange and susceptibilities in fcc iron: A supercell dynamical mean-field theory study
A. A. Katanin, A. S. Belozerov, V. I. Anisimov
We study the momentum- and temperature dependencies of magnetic susceptibilities and magnetic exchange in paramagnetic fcc iron by a combination of density functional theory and su…
Effect of density of states peculiarities on Hund's metal behavior
A. S. Belozerov, A. A. Katanin, V. I. Anisimov
We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model…
Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell DMFT calculations
A. S. Belozerov, A. A. Katanin, V. I. Anisimov
We analyze the momentum- and temperature dependences of the magnetic susceptibilities and magnetic exchange interaction in paramagnetic bcc iron by a combination of density functio…
Nonlocal correlations in the vicinity of the - phase transition in iron within a DMFT plus spin-fermion model approach
A. A. Katanin, A. S. Belozerov, V. I. Anisimov
We consider nonlocal correlations in iron in the vicinity of the - phase transition within the spin-rotationally-invariant dynamical mean-field theory (DMFT) approach, combin…
Structural phase transition in Fe-Mn alloys from CPA+DMFT approach
A. S. Belozerov, A. I. Poteryaev, S. L. Skornyakov +1
We present a computational scheme for total energy calculations of disordered alloys with strong electronic correlations. It employs the coherent potential approximation combined w…
Study of the specific heat for the binary alloy in the CPA+DMFT method
Alexander I. Poteryaev, Sergey V. Skornyakov, Alexander S. Belozerov +1
The thermodynamic properties of strongly correlated system with binary type of disorder are investigated using the combination of the coherent potential approximation and dynamical…
Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations
A. S. Belozerov, I. Leonov, V. I. Anisimov
We present a rotationally invariant Hirsch-Fye quantum Monte Carlo algorithm in which the spin rotational invariance of Hund's exchange is approximated by averaging over all possib…
Rotationally-Invariant Exchange Interaction: The Case of Paramagnetic Iron
V. I. Anisimov, A. S. Belozerov, A. I. Poteryaev +1
We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formula…
Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide
A. S. Belozerov, A. I. Poteryaev, V. I. Anisimov
The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation re…