DFT+U calculations on the refined low-T magnetite structure examine trimeron ordering effects on bandgap and polaron hopping to clarify their interplay in electronic properties.
Chakraverty, Verwey ordering on magnetite as a co- operative Jahn-Teller transition, Solid State Communi- cations 15, 1271 (1974)
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Trimeron ordering, bandgap and polaron hopping in magnetite
DFT+U calculations on the refined low-T magnetite structure examine trimeron ordering effects on bandgap and polaron hopping to clarify their interplay in electronic properties.