A two-stage model of Verwey transition in Fe 3 O 4 : first-principles studies

first-principles calculations. The results reveal that the Verwey transition can be regarded as a two-step phase transition containing a dynamic and a static trimeron network mode. Under the dynamic regime, the charge ordering pattern changes with lattice distortion. Upon further distortion, the system enters the static mode. Additionally, the variations of ferroelectricity and magnetic anisotropy with lattice distortion are investigated. The detailed calculation results may provide insights into the underlying physics of the Verwey transition and promote the understanding of the three-Fe-site trimeron unit.