611 citations · 7.8k across the 125 of their papers we have counts for
126 papers
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…
Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs
S. L. Skornyakov, V. I. Anisimov, I. Leonov
We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field…
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…