Abstract
In this study, La0.5Ba0.5MnO3 has been synthesized by hydrothermal method. Crystal structure and morphology are determined by x-ray diffraction and scanning electron microscopy. It is observed that Ba-doped LaMnO3 (LMO) has the same cubic crystal structure as the host material with space group $\text {Pm}\bar {3}\mathrm {m}$ . Half of the La atoms are replaced by Ba in the composition. Further, the electronic and magnetic structures are investigated by solving the Kohn-Sham equation with the full-potential linearized augmented plane wave method (FP-LAPW), with GGA+U approximation for exchange and correlation, for Ba concentration from 12.5 to 87.5%. The system is half-metallic ferromagnetic (FM) up to 55% and then converts into anti-ferromagnetic (AFM). This happens due to the onset of super exchange on increasing Ba concentrations. It is suggested that Ba-doped LMO is the best material for the fabrication of an exchange-biased spin valve. The spacer material can be any non-magnetic cubic perovskite such as BaTiO3 while the FM and AFM layers can be made of Ba-doped LMO with different concentrations of Ba.
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