Magnetic structure and magnetic properties of Fe3BO5 and Mn3BO5 ludwigites

Zamkova, N., Zhandun, V.// Physica B: Condensed Matter//

https://doi.org/10.1016/j.physb.2024.416754

The magnetic ground state of transition metal ludwigites Fe₃BO₅ and Mn₃BO₅ was studied via the combination of representations analysis and the following DFT total energy calculations of possible magnetic configurations. The distinct in the magnetic properties of ludwigites was analyzed through estimation of exchange constants. The pressure evolution of manganese magnetic moments in Mn₃BO₅ reveals the site-dependent behavior of magnetic moments. The manganese magnetic moments in 4-2-4 triads experience the sharp decrease above the pressure of 50 GPa, whereas magnetic moments in 3-1-3 triads have the weak dependence on pressure. The pressure-induced transition from half-metal state to metal state is also being found in Mn₃BO₅.