91 citations · 162 across the 4 of their papers we have counts for
7 papers
A new hybrid LDA and Generalized Tight-Binding method for the electronic structure calculations of strongly correlated electron systems
V. A. Gavrichkov, M. M. Korshunov, S. G. Ovchinnikov +3
A novel hybrid scheme is proposed. The {\it ab initio} LDA calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband…
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…
Influence of Co spin-state on optical properties of LaCoO and HoCoO
L. V. Nomerovannaya, A. A. Makhnev, S. V. Streltsov +6
Optical properties of the isoelectronic compounds LaCoO and HoCoO has been experimentally and theoretically investigated. We've measured the real and imaginary $ε_…
Explanation of the similarity of the experimental photoemission spectra of SrVO3 and CaVO3
I. A. Nekrasov, G. Keller, D. E. Kondakov +5
We present parameter-free LDA+DMFT results for the many-particle density of states of cubic SrVO3 and orthorhombic CaVO3. Both systems are found to be strongly correlated metals, b…
The LDA+DMFT Approach to Materials with Strong Electronic Correlations
K. Held, I. A. Nekrasov, G. Keller +7
LDA+DMFT is a novel computational technique for ab initio investigations of real materials with strongly correlated electrons, such as transition metals and their oxides. It combin…
Localization in ruthenates: magnetic and electronic properties of Ca(2-x)Sr(x)RuO(4)
V. I. Anisimov, I. A. Nekrasov, D. E. Kondakov +2
The electronic structures of the metallic and insulating phases of Ca(2-x)Sr(x)RuO(4) (0<= x <= 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. F…