2 papers
cond-mat.mtrl-sci2026
Polaron transport and Verwey transition in magnetite
Nikita Fominykh, Vladimir Stegailov
The enigmatic puzzle of the Verwey transition in magnetite FeO has been unresolved for almost a century. We present an ab initio-based model of the polaron transport combin…
cond-mat.mtrl-sci2024
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…