14 citations · 29 across the 4 of their papers we have counts for
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Flat interface between amorphous ices and the role of MDA-like intermediate states in the LDA-HDA transformation
Anastasiia Shupletsova, Vladimir Stegailov
The pressure-induced transformation between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) is a prototypical polyamorphic transition, yet its microscopic mech…
Trimeron ordering, bandgap and polaron hopping in magnetite
Nikita Fominykh, Vladimir Stegailov
In this work, we apply the DFT+U approach for a detailed ab initio study of the refined structure of the low-temperature phase of magnetite [M. S. Senn et al., Nature 481, 173 (201…
Frenkel pair formation energy for cubic FeO in DFT+U calculations
M. I. Shutikova, V. V. Stegailov
Ab initio modelling of point defects in the cubic phase of magnetite faces two problems: the cubic structure becomes unstable below the Verwey temperature and there is no consensus…
Non-adiabatic effects and exciton-like states during insulator-to-metal transition in warm dense hydrogen
Ilya D. Fedorov, Nikita D. Orekhov, Vladimir V. Stegailov
Transition of molecular hydrogen to atomic ionized state with increase of temperature and pressure poses still unresolved problems for experimental methods and theory. Here we anal…