Search Results - "L. V. Pourovskii"

Electronic correlations and transport in iron at Earth’s core conditions by Pourovskii, L. V., Mravlje, J., Pozzo, M., Alfè, D.

“…The transport properties of iron under Earth’s inner core conditions are essential input for the geophysical modelling but are poorly constrained…”
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Electron-electron scattering and thermal conductivity of ϵ-iron at Earth's core conditions by Pourovskii, L V, Mravlje, J, Georges, A, Simak, S I, Abrikosov, I A

“…The electronic state and transport properties of hot dense iron are of the utmost importance for the understanding of Earth's interior. Combining…”
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Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition by Glazyrin, K, Pourovskii, L V, Dubrovinsky, L, Narygina, O, McCammon, C, Hewener, B, Schünemann, V, Wolny, J, Muffler, K, Chumakov, A I, Crichton, W, Hanfland, M, Prakapenka, V B, Tasnádi, F, Ekholm, M, Aichhorn, M, Vildosola, V, Ruban, A V, Katsnelson, M I, Abrikosov, I A

“…We discover that hcp phases of Fe and Fe(0.9)Ni(0.1) undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the…”
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Nature of non-magnetic strongly-correlated state in δ-plutonium by Pourovskii, L. V, Katsnelson, M. I, Lichtenstein, A. I, Havela, L, Gouder, T, Wastin, F, Shick, A. B, Drchal, V, Lander, G. H

“…Ab initio relativistic dynamical mean-field theory is applied to resolve the long-standing controversy between theory and experiment in the “simple”…”
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The most incompressible metal osmium at static pressures above 750 gigapascals by Dubrovinsky, L., Dubrovinskaia, N., Bykova, E., Bykov, M., Prakapenka, V., Prescher, C., Glazyrin, K., Liermann, H.-P., Hanfland, M., Ekholm, M., Feng, Q., Pourovskii, L. V., Katsnelson, M. I., Wills, J. M., Abrikosov, I. A.

“…Subtle anomalies in how the structure of metallic osmium evolves with pressure are detected using powder X-ray diffraction measurements at ultra-high static…”
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Theoretical prediction and spectroscopic fingerprints of an orbital transition in CeCu2Si2 by Pourovskii, L V, Hansmann, P, Ferrero, M, Georges, A

“…We show that the heavy-fermion compound CeCu2Si2 undergoes a transition between two regimes dominated by different crystal-field states. At low pressure P and…”
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Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications by Pourovskii, L. V., Amadon, B., Biermann, S., Georges, A.

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Impact of electronic correlations on the equation of state and transport in ε -Fe by Pourovskii, L. V., Mravlje, J., Ferrero, M., Parcollet, O., Abrikosov, I. A.

“…We have obtained the equilibrium volumes, bulk moduli, and equations of state of the ferromagnetic cubic alpha and paramagnetic hexagonal epsilon phases of…”
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Electronic properties and magnetism of iron at the Earth's inner core conditions by Pourovskii, L. V., Miyake, T., Simak, S. I., Ruban, A. V., Dubrovinsky, L., Abrikosov, I. A.

“…We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hcp, fcc, and bcc) at the Earth's…”
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Antisite-defect-induced surface segregation in ordered NiPt alloy by Pourovskii, L V, Ruban, A V, Johansson, B, Abrikosov, I A

“…By means of first principles simulations we demonstrate that tiny deviations from stoichiometry in the bulk composition of the NiPt-L1(0) ordered alloy have a…”
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Corrigendum: Electron-electron scattering and thermal conductivity of ϵ-iron at Earth's core conditions (2017 New J. Phys. 19 073022) by Pourovskii, L V, Mravlje, J, Georges, A, Simak, S I, Abrikosov, I A

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Giant Overlap between the Magnetic and Superconducting Phases of CeAu2Si2 under Pressure by Ren, Z, Pourovskii, L V, Giriat, G, Lapertot, G, Georges, A, Jaccard, D

“…High pressure provides a powerful means for exploring unconventional superconductivity which appears mostly on the border of magnetism. Here, we report the…”
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Fully relativistic spin-polarized exact muffin-tin-orbital method by POUROVSKII, L. V, RUBAN, A. V, VITOS, L, EBERT, H, JOHANSSON, B, ABRIKOSOV, I. A

“…The exact muffin-tin-orbital (EMTO) method is generalized for fully relativistic (FR) spin-polarized calculations. In the present implementation we solve…”
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Theoretical Prediction and Spectroscopic Fingerprints of an Orbital Transition in CeCu 2 Si 2 by Pourovskii, L. V., Hansmann, P., Ferrero, M., Georges, A.

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Correlation effects in electronic structure of actinide monochalcogenides by POUROVSKII, L. V, KATSNELSON, M. I, LICHTENSTEIN, A. I

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Surface magnetism of vanadium-based binary alloys: first principles investigations by Ponomareva, A.V., Pourovskii, L.V., Isaev, E.I., Vekilov, Yu.Kh, Johansson, B., Abrikosov, I.A.

“…Surface magnetism of vanadium-based disordered binary alloys V-Me (Me=Pd, Mo) has been studied by means of the first-principles LMTO-GF-CPA and fixed spin…”
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Calculated properties of surface and subsurface nickel monolayers on copper by Pourovskii, L.V., Skorodumova, N.V., Vekilov, Yu.Kh, Johansson, B., Abrikosov, I.A.

“…Surface energies and magnetic properties of Cu(100), (110) and (111) surfaces with an epitaxial Ni monolayer have been studied by means of the first-principles…”
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Structure of the normal state and origin of Schottky anomaly in the correlated heavy fermion superconductor UTe2 by Khmelevskyi, S, Pourovskii, L. V, Tereshina-Chitrova, E. A

“…The newly discovered UTe2 superconductor is regarded as a heavy fermion mixed-valence system with very peculiar properties within the normal and…”
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Strain-driven switching between antiferromagnetic states in frustrated antiferromagnet UO2 probed by exchange bias effect by Tereshina-Chitrova, E. A, Pourovskii, L. V, Khmelevskyi, S, Horak, L, Bao, Z, Mackova, A, Malinsky, P, Gouder, T, Caciuffo, R

“…Frustrated antiferromagnets offer a captivating platform to study the intricate relationship of magnetic interactions, geometric constraints, and emergent…”
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Electronic correlations in Fe at Earth's inner core conditions: Effects of alloying with Ni by Vekilova, O. Yu, Pourovskii, L. V., Abrikosov, I. A., Simak, S. I.

“…We have studied the body-centered cubic (bcc), face-centered cubic (fcc), and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at.% of Ni at Earth's…”
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