223 citations · 264 across the 7 of their papers we have counts for
7 papers
Crystal structure evolution induced by the Jahn-Teller effect in mixed-valence silver fluoride AgF
Dmitry M. Korotin, Dmitry Y. Novoselov, Yaroslav M. Plotnikov +1
The silver fluoride AgF consists structurally of square-planar units formed by four fluoride ions coordinated to a central silver ion, which possesses a partially filled $d…
Electronic correlations in promising room-temperature superconductor PbCu(PO)O: a DFT+DMFT study
Dmitry M. Korotin, Dmitry Y. Novoselov, Alexey O. Shorikov +2
We present results of the first investigations on the correlated nature of electronic states that cross the Fermi level in PbCu(PO)O aka LK-99 obtained within the DFT +…
2D to 1D magnetic interactions evolution in CuF through electron doping by fluoride non-stoichiometry
Dmitry M. Korotin, Dmitry Y. Novoselov, Vladimir I. Anisimov
The copper fluoride CuF is a compound with 2D-magnetic exchange interactions between the Cu ions in the and spin-states. Using ab-initio calculations,…
Mixed spin S=1 and S=1/2 layered lattice in CuF
Dmitry M. Korotin, Dmitry Y. Novoselov, Vladimir I. Anisimov +1
The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate CuF. Using the D…
Towards high-throughput superconductor discovery via machine learning
Stephen R. Xie, Y. Quan, Ajinkya Hire +5
Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner a…
Novel Copper Fluoride Analogs of Cuprates
Nikita Rybin, Dmitry. Y. Novoselov, Dmitry M. Korotin +2
On the basis of the first-principles evolutionary crystal structure prediction of stable compounds in the Cu-F system, we predict two experimentally unknown stable phases -- Cu2F5…
Phonon mode softening and elastic properties of hafnium under pressure
D. Novoselov, V. I. Anisimov, Yu. S. Ponosov
The effect of pressure on the zone-center optical phonon modes and the elastic properties of hafnium has been studied by both experimental (Raman scattering) and theoretical (DFT)…