Search Results - "Anisimov, Vladimir I"

Collapse of magnetic moment drives the Mott transition in MnO by Kuneš, Jan, Lukoyanov, Alexey V, Anisimov, Vladimir I, Scalettar, Richard T, Pickett, Warren E

“…The metal–insulator transition in correlated electron systems, where electron states transform from itinerant to localized, has been one of the central themes…”
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Influence of Molecular Orbitals on Magnetic Properties of FeO2Hx by Shorikov, Alexey O., Skornyakov, Sergey L., Anisimov, Vladimir I., Streltsov, Sergey V., Poteryaev, Alexander I.

“…Recent discoveries of various novel iron oxides and hydrides, which become stable at very high pressure and temperature, are extremely important for…”
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Interacting Electrons in Two-Dimensional Electride Ca2N by Novoselov, Dmitry Y, Korotin, Dmitry M, Shorikov, Alexey O, Anisimov, Vladimir I, Oganov, Artem R

“…We investigated the role of correlation effects in the formation of the spectral and magnetic properties of two-dimensional electride Ca2N. Using the…”
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Localization Mechanism of Interstitial Electronic States in Electride Mayenite by Novoselov, Dmitry Y., Mazannikova, Mary A., Korotin, Dmitry M., Shorikov, Alexey O., Korotin, Michael A., Anisimov, Vladimir I., Oganov, Artem R.

“…Electrides contain interstitial electrons with the states that are spatially separated from the crystal framework states and form a detached electronic…”
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Pressure-induced magnetic transitions with change of the orbital configuration in dimerised systems by Korotin, Dmitry M., Anisimov, Vladimir I., Streltsov, Sergey V.

“…We suggest a possible scenario for magnetic transition under pressure in dimerised systems where electrons are localised on molecular orbitals. The mechanism…”
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Electride and Magnetic Properties of Ternary Intermetallic Compounds LaTMSi by Dyachenko, Alexey A., Lukoyanov, Alexey V., Anisimov, Vladimir I.

“…We present a theoretical study of the electronic, spectral, and magnetic properties of ternary intermetallic LaTMSi (where TM = Mn, Sc) compounds within the…”
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Specific heat of a binary alloy within the CPA+DMFT method by Poteryaev, Alexander I., Skornyakov, Sergey L., Belozerov, Alexander S., Anisimov, Vladimir I.

“…The thermodynamic properties of a strongly correlated system with a binary type of disorder are investigated using the combination of the coherent potential…”
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Electronic Transport via Interstitial States in Mayenite Electride by Mazannikova, Mary A., Korotin, Dmitry M., Shorikov, Alexey O., Anisimov, Vladimir I., Novoselov, Dmitry Y.

“…Earlier theoretical calculations of the Seebeck coefficient of mayenite electride have shown that electrons are the major type of charge carriers, while…”
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Prediction of Stable Silver Fluorides by Rybin, Nikita, Chepkasov, Ilya, Novoselov, Dmitry Y., Anisimov, Vladimir I., Oganov, Artem R.

“…Silver fluorides form a variety of stable compounds at ambient and high-pressure conditions, but existing experiments and theoretical predictions provide an…”
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Interacting Electrons in Two-Dimensional Electride Ca 2 N by Novoselov, Dmitry Y., Korotin, Dmitry M., Shorikov, Alexey O., Anisimov, Vladimir I., Oganov, Artem R.

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Influence of Molecular Orbitals on Magnetic Properties of [x] by Shorikov, Alexey O, Skornyakov, Sergey L, Anisimov, Vladimir I, Streltsov, Sergey V, Poteryaev, Alexander I

“…Recent discoveries of various novel iron oxides and hydrides, which become stable at very high pressure and temperature, are extremely important for…”
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Crystal structure evolution induced by the Jahn-Teller effect in mixed-valence silver fluoride Ag$_3$F$_5 by Korotin, Dmitry M, Novoselov, Dmitry Y, Plotnikov, Yaroslav M, Anisimov, Vladimir I

“…The silver fluoride Ag$_3$F$_5$ consists structurally of square-planar units formed by four fluoride ions coordinated to a central silver ion, which possesses…”
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2D to 1D magnetic interactions evolution in Cu$_2$F$_{5-x}$ through electron doping by fluoride non-stoichiometry by Korotin, Dmitry M, Novoselov, Dmitry Y, Anisimov, Vladimir I

“…The copper fluoride Cu$_2$F$_5$ is a compound with 2D-magnetic exchange interactions between the Cu ions in the $S=1$ and $S=\frac{1}{2}$ spin-states. Using…”
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Electronic correlations in promising room-temperature superconductor Pb$_9$Cu(PO$_4$)$_6$O: a DFT+DMFT study by Korotin, Dmitry M, Novoselov, Dmitry Y, Shorikov, Alexey O, Anisimov, Vladimir I, Oganov, Artem R

“…We present results of the first investigations on the correlated nature of electronic states that cross the Fermi level in Pb$_9$Cu(PO$_4$)$_6$O aka LK-99…”
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Mixed spin S=1 and S=1/2 layered lattice in Cu$_2$F$_5 by Korotin, Dmitry M, Novoselov, Dmitry Y, Anisimov, Vladimir I, Oganov, Artem R

“…Phys. Rev. B 104, 064410 (2021) The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the…”
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Novel Copper Fluoride Analogs of Cuprates by Rybin, Nikita, Novoselov, Dmitry. Y, Korotin, Dmitry M, Anisimov, Vladimir I, Oganov, Artem. R

“…On the basis of the first-principles evolutionary crystal structure prediction of stable compounds in the Cu-F system, we predict two experimentally unknown…”
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High speed asynchronous methods of data exchange for information systems by Anisimov, Vladimir I., Dmitrevich, Gennady D., Vasiliev, Sergey A.

“…The paper describes the principles of building IT infrastructure of information systems. It specifies the advantages of using service-oriented architecture…”
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Dynamical Mean-Field Theory for Doped Antiferromagnets by Fleck, Marcus, Liechtenstein, Alexander I., Oleś, Andrzej M., Hedin, Lars, Anisimov, Vladimir I.

“…We have generalized the dynamical mean-field theory to study the doping dependence of the crossover from antiferromagnetic to short-range order modeled by an…”
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Hydrogenation driven formation of local magnetic moments in FeO$_2$H$_x by Shorikov, Alexey O, Poteryaev, Alexander I, Anisimov, Vladimir I, Streltsov, Sergey V

“…Phys. Rev. B 98, 165145 (2018) The electronic and magnetic properties of recently discovered new important constituent of the Earth's lower mantle FeO2H were…”
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Methods of constructing service-oriented computer - Aided circuit design systems based on WebSocket Protocol and Oracle database by Gridin, Vladimir N., Dmitrevich, Gennady D., Anisimov, Vladimir I., Vasiliev, Sergey A.

“…Practical implementation of Web technologies in developing computer-aided circuit design (CAD) systems based on the Web Socket protocol is treated. An approach…”
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