611 citations · 7.8k across the 125 of their papers we have counts for
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The role of temperature and Coulomb correlation in stabilization of CsCl-phase in FeS under pressure
A. O. Shorikov, V. V. Roizen, A. R. Oganov +1
The iron-sulfur system is important for planetary interiors and is intensely studied, particularly for better understanding of the cores of Mars and Earth. Yet, there is a paradox…
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…
Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion
S. L. Skornyakov, V. I. Anisimov, D. Vollhardt +1
We present results of a detailed theoretical study of the electronic, magnetic, and structural properties of the chalcogenide parent system FeSe using a fully charge self-consisten…