We study from first principles the magnetic, electronic, orbital and structural properties of the LaMnO3 doped with gallium replacing the Mn-site. The gallium doping reduces the Jahn–Teller effect, and consequently the bandgap. Surprisingly, the system does not go towards a metallic phase because of the Mn-bandwidth reduction. The Ga-doping tends to reduce the orbital order typical of bulk antiferromagnetic LaMnO3 and consequently weakens the antiferromagnetic phase. The Ga-doping favors the G-type orbital order and layered-ordered ferromagnetic perovskite at x=0.50, both effects contribute to the formation of the insulating ferromagnetic phase in LaMn1−xGaxO3.
Autieri, C., Cuoco, M., Cuono, G., Picozzi, S., Noce, C. (2023). Orbital order and ferromagnetism in LaMn1−xGaxO3. PHYSICA. B, CONDENSED MATTER, 648 [10.1016/j.physb.2022.414407].
Orbital order and ferromagnetism in LaMn1−xGaxO3
Picozzi S.;
2023
Abstract
We study from first principles the magnetic, electronic, orbital and structural properties of the LaMnO3 doped with gallium replacing the Mn-site. The gallium doping reduces the Jahn–Teller effect, and consequently the bandgap. Surprisingly, the system does not go towards a metallic phase because of the Mn-bandwidth reduction. The Ga-doping tends to reduce the orbital order typical of bulk antiferromagnetic LaMnO3 and consequently weakens the antiferromagnetic phase. The Ga-doping favors the G-type orbital order and layered-ordered ferromagnetic perovskite at x=0.50, both effects contribute to the formation of the insulating ferromagnetic phase in LaMn1−xGaxO3.
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