Orbital order and ferromagnetism in LaMn1-xGaxO3

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. © 2022 The Author(s)