Search Results - "Skornyakov, S. L"

NiO: correlated band structure of a charge-transfer insulator by Kunes, J, Anisimov, V I, Skornyakov, S L, Lukoyanov, A V, Vollhardt, D

“…The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical…”
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Linear-temperature dependence of static magnetic susceptibility in LaFeAsO from dynamical mean-field theory by Skornyakov, S L, Katanin, A A, Anisimov, V I

“…In this Letter we report the local density approximation with dynamical mean field theory results for magnetic properties of the parent superconductor LaFeAsO…”
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Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials by Korotin, Dm, Kozhevnikov, A. V., Skornyakov, S. L., Leonov, I., Binggeli, N., Anisimov, V. I., Trimarchi, G.

“…Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real…”
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Correlation-Driven Topological Fermi Surface Transition in FeSe by Leonov, I., Skornyakov, S. L., Anisimov, V. I., Vollhardt, D.

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Coulomb Correlations and the Electronic Structure of Bulk V2Te2O by Skornyakov, S. L., Trifonov, I. O., Anisimov, V. I.

“…The effect of Coulomb correlations on the electronic structure of bulk van der Waals material V 2 Te 2 O is studied by the charge self-consistent density…”
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Correlation-Driven Topological Fermi Surface Transition in FeSe by Leonov, I, Skornyakov, S L, Anisimov, V I, Vollhardt, D

“…The electronic structure and phase stability of paramagnetic FeSe is computed by using a combination of ab initio methods for calculating band structure and…”
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Coulomb Correlations and Electronic Structure of CuCo2S4: a DFT + DMFT Study by Skornyakov, S. L., Trifonov, I. O., Anisimov, V. I.

“…By employing a combined method of density functional theory and dynamical mean-field theory (DFT + DMFT) we study the spectral properties and local moment…”
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Mechanism of magnetic moment collapse under pressure in ferropericlase by Skorikov, N A, Shorikov, A O, Skornyakov, S L, Korotin, M A, Anisimov, V I

“…We propose a new scenario for the magnetic collapse under pressure in ferropericlase (FP) (Fe(1/4)Mg(3/4))O without the presence of intermediate spin state,…”
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Electronic Structure and Magnetic Properties of Strongly Correlated Transition Metal Compounds by Anisimov, V. I., Lukoyanov, A. V., Skornyakov, S. L.

“…Different classes of compounds based on transition metals belong to strongly correlated compounds due to strong interactions of d and f electrons with each…”
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Computation of electronic structure and magnetic properties of strongly correlated materials with LDA+DMFT method by Skornyakov, S.L., Anisimov, V.I.

“…In this review, we describe general ideas of the LDA+DMFT method which merges dynamical mean-field theory (DMFT) and density functional theory (in particular…”
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Structural, elastic and electronic properties of new layered superconductor HfCuGe2 in comparison with isostructural HfCuSi2, ZrCuGe2, and ZrCuSi2 from first-principles calculations by Shein, I.R., Skornyakov, S.L., Anisimov, V.I., Ivanovskii, A.L.

“…Very recently, low-temperature superconductivity was discovered for the intermetallic compound HfCuGe2 (2013; Cava RJ, et al, EPL 101:67001.), which was…”
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Correlated electronic structure, orbital-dependent correlations, and Lifshitz transition in tetragonal FeS by Skornyakov, S. L, Leonov, I

“…Phys. Rev. B 100, 235123 (2019) Using density functional plus dynamical mean-field theory method (DFT+DMFT) with full self-consistency over the charge density,…”
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Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs by Skornyakov, S. L, Anisimov, V. I, Leonov, I

“…Phys. Rev. B 103, 155115 (2021) We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the…”
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Spectral properties of LiFeAs: An LDA+DMFT study by Skornyakov, S. L., Novoselov, D. Y., Gürel, T., Anisimov, V. I.

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Correlation strength, Lifshitz transition and the emergence of a two- to three-dimensional crossover in FeSe under pressure by Skornyakov, S. L, Anisimov, V. I, Vollhardt, D, Leonov, I

“…Phys. Rev. B 97, 115165 (2018) We report a detailed theoretical study of the electronic structure, spectral properties, and lattice parameters of bulk FeSe…”
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Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion by Skornyakov, S. L, Anisimov, V. I, Vollhardt, D, Leonov, I

“…Phys. Rev. B 96, 035137 (2017) We present results of a detailed theoretical study of the electronic, magnetic, and structural properties of the chalcogenide…”
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Orbital-selective formation of local moments in α -iron: First-principles route to an effective model by Katanin, A. A., Poteryaev, A. I., Efremov, A. V., Shorikov, A. O., Skornyakov, S. L., Korotin, M. A., Anisimov, V. I.

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Correlation-driven topological Fermi surface transition in FeSe by Leonov, I, Skornyakov, S. L, Anisimov, V. I, Vollhardt, D

“…Phys. Rev. Lett. 115, 106402 (2015) The electronic structure and phase stability of paramagnetic FeSe is computed by using a combination of ab initio methods…”
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Effect of correlations and doping on the spin susceptibility of iron pnictides: the case of KFe2As2 by Skornyakov, S. L, Anisimov, V. I, Vollhardt, D

“…JETP Lett. 100, 128 (2014) The temperature dependence of the paramagnetic susceptibility of the iron pnictide superconductor KFe2As2 and its connection with…”
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Effect of a magnetic order on the phase stability of the parent chalcogenide compound FeSe by Skornyakov, S. L., Leonov, I., Anisimov, V. I.

“…We present results of first-principle calculation of the electronic structure and phase stability of the parent compound of Fe-based superconductors, FeSe, in…”
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