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

Abstract

We have presented the synthesis, structural, and magnetic properties from the experimental point of view. Then we verified our experimental observation by studying the electronic and magnetic properties of Al-doped LaMnO3 from the first principle density functional theory (DFT) and Monte-Carlo simulation. We have synthesized the LaAlxMn1-xO3 (x= 0.05, 0.15, 0.25) and performed the Rietveld refinement of XRD data to determine the lattice parameters. To see the mixed valance of Mn-ion, we performed the XPS of 25% Al-doped material. The magnetic study shows the ferromagnetic transition of these materials. Using XRD refinement values, we have completed the DFT calculations. The Monte Carlo simulation has been done through the anisotropic Ising model to analyze the origin of magnetic transition. We have determined the anisotropy and the interaction constants from the DFT calculations.