Search Results - "Novoselov, Dmitry. Y"

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…”
Get full text

Doping and pressure-driven structural transition in BiMnO3+δ from first principles by Novoselov, Dmitry Y., Mazannikova, Mary A., Korotin, Dmitry M.

“…We investigate the changes in the electronic structure and magnetic properties of BiMnO3+δ accompanied the phase transition C2∕c→P21∕c which occurs either with…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

Doping and pressure-driven structural transition in BiMnO 3 + δ from first principles by Novoselov, Dmitry Y., Mazannikova, Mary A., Korotin, Dmitry M.

Get full text

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.

Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text