310 citations · 2.1k across the 38 of their papers we have counts for
38 papers
Spin-density, charge- and bond-disproportionation wave instability in hole-doped infinite-layer NiO
K. G. Slobodchikov, I. V. Leonov
Using \emph{ab initio} band structure methods and DFT+dynamical mean-field theory approach we explore the possible formation of spin and charge stripes in the Ni-O plane of hole-do…
Correlation strength, orbital-selective incoherence, and local moments formation in the magnetic MAX-phase MnGaC
H. J. M. Jönsson, M. Ekholm, I. Leonov +3
We perform a theoretical study of the electronic structure and magnetic properties of the prototypical magnetic MAX-phase MnGaC with the main focus given to the origin of magne…
Metal-insulator transition and local-moment collapse in negative charge-transfer CaFeO under pressure
I. Leonov
We compute the electronic structure, spin and charge state of Fe ions, and structural phase stability of paramagnetic CaFeO under pressure using a fully self-consistent in char…
Electronic correlations at paramagnetic and NiO surfaces: Charge-transfer and Mott-Hubbard-type gaps at the surface and subsurface of NiO
I. Leonov, S. Biermann
We explore the interplay of electron-electron correlations and surface effects in the prototypical correlated insulating material, NiO. In particular, we compute the electronic str…
Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs
S. L. Skornyakov, V. I. Anisimov, I. Leonov
We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field…
Calculated Exchange Interactions and Sensitivity of Ni Two-Hole Spin State to Hund's Coupling in Doped NdNiO2
Xiangang Wan, Vsevolod Ivanov, Giacomo Resta +2
Using density functional based LDA+U method and linear-response theory, we study the magnetic exchange interactions of the superconductor Nd{1-x}Sr{x}NiO2. Our calculated nearest-n…