398 citations · 822 across the 13 of their papers we have counts for
10 papers · 1 filter
CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions
M. A. Korotin, Z. V. Pchelkina, N. A. Skorikov +2
The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolut…
Pressure-Driven Metal-Insulator Transition in Hematite from Dynamical Mean-Field Theory
J. Kunes, Dm. M. Korotin, M. A. Korotin +2
The Local Density Approximation combined with Dynamical Mean-Field Theory (LDA+DMFT method) is applied to the study of the paramagnetic and magnetically ordered phases of hematite…
Coulomb repulsion and correlation strength in LaFeAsO from Density Functional and Dynamical Mean-Field Theories
V. I. Anisimov, Dm. M. Korotin, M. A. Korotin +5
LDA+DMFT (Local Density Approximation combined with Dynamical Mean-Field Theory) computation scheme has been used to calculate spectral properties of LaFeAsO -- the parent compound…
Coulomb Parameter U and Correlation Strength in LaFeAsO
V. I. Anisimov, Dm. M. Korotin, S. V. Streltsov +4
First principles constrained density functional theory scheme in Wannier functions formalism has been used to calculate Coulomb repulsion U and Hund's exchange J parameters for iro…
Orbital-assisted metal-insulator transition in VO
M. W. Haverkort, Z. Hu, A. Tanaka +9
We found direct experimental evidence for an orbital switching in the V 3d states across the metal-insulator transition in VO. We have used soft-x-ray absorption spectroscopy…
The role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2
V. I. Anisimov, M. A. Korotin, I. A. Nekrasov +4
We have investigated the role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 using LSDA+U approach which takes into account…
The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3
I. A. Nekrasov, S. V. Streltsov, M. A. Korotin +1
We present first principles LDA+U calculations of electronic structure and magnetic state for LaCoO3 and HoCoO3. Low Spin to Intermediate Spin state transition was found in our cal…
Variation of orbital symmetry of the localized 3d^1 electron of the V^{4+} ion upon the metal-insulator transition in VO_2
M. A. Korotin, N. A. Skorikov, V. I. Anisimov
The electronic structure of the vanadium dioxide VO_2 in the tetragonal R and two monocinic M_1 and M_2 structural modifications was calculated in frames of the local-density funct…
Coulomb interaction in oxygen \textit{p}-shell in LDA+U method and its influence on calculated spectral and magnetic properties of transition metal oxides
I. A. Nekrasov, M. A. Korotin, V. I. Anisimov
Coulomb interaction between electrons on p-orbitals of oxygen atom in strongly correlated compounds is not negligible, since its value (U_p) has comparable order of magnitude with…
Magnetic Susceptibilities of Spin-1/2 Antiferromagnetic Heisenberg Ladders and Applications to Ladder Oxide Compounds
D. C. Johnston, M. Troyer, S. Miyahara +11
A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature χ(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and lad…