Verwey transition in magnetite: Mean-field solution of the three-band model | Zendy

Sonali Mishra | Zendy; Z. Zhang | Zendy; S. Satpathy | Zendy

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Verwey transition in magnetite: Mean-field solution of the three-band model

Author(s) -

Sonali Mishra,

Z. Zhang,

S. Satpathy

Publication year - 1994

Publication title -

journal of applied physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.699

H-Index - 319

eISSN - 1089-7550

pISSN - 0021-8979

DOI - 10.1063/1.358171

Subject(s) - charge ordering , condensed matter physics , electron , hamiltonian (control theory) , electronic band structure , coulomb , magnetite , physics , band gap , atomic orbital , materials science , charge (physics) , quantum mechanics , mathematics , mathematical optimization , metallurgy

doi:10.1063/1.358171The nature of the Verwey transition in magnetite (FqO,) within a three-band spinless model Hamiltonian is examined. These bands, which arise from the minority-spin tZg orbitals on the Fe(B) sublattice, are occupied by half an electron per Fe(B) atom. The Verwey order-disorder transition is studied as a function of the ratio of the intersite Coulomb repulsion Ur and the bandwidth W. It is found that the electrons are ordered beyond the critical value of U,lW=O.25 in essential agreement with the results of the one-band Cullen-Callen model. For larger values of lJ,JW, a Venvey-like order is exhibited where the electrons occupy alternate (001) planes. The model predicts a transition from the metallic to the semiconducting state with the band gap increasing linearly with U, beyond the transition point

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