Tailoring the magnetic landscape in Al-doped LaMnO₃: an experimental and computational perspective

Abstract We have reported the synthesis, structural and magnetic properties of LaAl x Mn 1− O 3 (x = 0.05, 0.15, 0.25) in this article. synthesized these compounds through Sol-gel citrate method performed Rietveld refinement X-ray diffraction data to determine lattice parameters. The surface elemental composition oxidation states 0.25 0.75 are investigated using photoelectron spectroscopy (XPS) a wide energy window 0–1200 eV. study shows ferromagnetic transition materials. To understand nature magnetization from experiments, we studied first principle density functional theory (DFT) Monte-Carlo simulation. From DFT calculations, confirmed structure ground state electronic Monte Carlo simulation has been done anisotropic Ising model analyze origin phase transition. determined anisotropy interaction constants calculations. double exchange is mainly responsible for state.