An ab initio model of polaron transport in Fe3O4 shows trimeron hopping without significant band structure change across the Verwey transition and matches measured dc-conductivity.
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Dual Fermion outperforms DMFT on thermodynamics, electronic structure and susceptibilities for the Falicov-Kimball model but is less accurate for orbital density versus chemical potential in the doped regime.
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Polaron transport and Verwey transition in magnetite
An ab initio model of polaron transport in Fe3O4 shows trimeron hopping without significant band structure change across the Verwey transition and matches measured dc-conductivity.
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Benchmarking the Dual Fermion approach on the Falicov-Kimball model
Dual Fermion outperforms DMFT on thermodynamics, electronic structure and susceptibilities for the Falicov-Kimball model but is less accurate for orbital density versus chemical potential in the doped regime.