activity
19962015
most citedFirst-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory

611 citations · 2.4k across the 32 of their papers we have counts for

collaborators

32 papers

cond-mat.str-el2015★ 14 cited

Magnetic properties of FeNi alloy from CPA+DMFT perspectives

Alexander I. Poteryaev, Nikolay A. Skorikov, Vladimir I. Anisimov +1

We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the FeNi alloy from a first principles. Cal…

cond-mat.mtrl-sci2015★ 20 cited

Structural defects and electronic structure of N-ion implanted TiO2: bulk versus thin film

D. A. Zatsepin, D. W. Boukhvalov, E. Z. Kurmaev +4

Systematic investigation of atomic structure of N-ion implanted TiO2 (thin films and bulk ceramics) was performed by XPS measurements (core levels and valence bands) and first-prin…

cond-mat.mtrl-sci2014

Pressure-induced spin transition of Fe ion in ferropericlase from Dynamical Mean-Field Theory

N. A. Skorikov, A. O. Shorikov, S. L. Skornyakov +1

The results of magnetic and spectral properties calculation for paramagnetic phase of ferropericlase (FeMg)O at ambient and high pressures are reported. Calculation…

cond-mat.mtrl-sci2014

Characterization of TiAlSiON Coatings Deposited by Plasma Enhanced Magnetron Sputtering: XRD, XPS, and DFT Studies

A. S. Kamenetskih, A. I. Kukharenko, E. Z. Kurmaev +6

The results of characterization of TiAlSiON hard coatings deposited on ferric-chromium AISI 430 stainless steel by plasma enhanced magnetron sputtering are presented. The coating w…

cond-mat.mtrl-sci2014

Characterization of solution processed TiOx buffer layers in inverted organic photovoltaics by XPS and DFT studies

Ivan S. Zhidkov, Ernst Z. Kurmaev, Michel A. Korotin +5

We present the results of XPS measurements (core levels and valence bands) of solution processed TiOx thin films prepared from titanium butoxide (C16H36O4Ti) diluted in isopropanol…

cond-mat.str-el2014★ 8 cited

The nature of the ferromagnetic ground state in the Mn4 molecular magnet

S. V. Streltsov, Z. V. Pchelkina, D. I. Khomskii +6

Using ab initio band structure and model calculations we studied magnetic properties of one of the Mn molecular magnets (Mn4(hmp)6), where two types of the Mn ions exist: Mn3+…