Browsing by Author "EJAZ AHMAD"

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    Structural and electrical properties of LaXO3 (X=Fe, Ti) perovskites:
    (UMT, Lhr, 2016) EJAZ AHMAD
    In this study we have calculated the structural and electronic parameters of LaTiO3 and LaFeO3 in phase at 0 Kelvin and ambient pressure using the density functional theory in basic Ab initio calculations. For this purpose we have used the software code WIEN2k. The structural and electronic properties such as band gap and lattices constants predicted over here are in good agreement with those cited in literature. The results show that LaFeO3 is metallic in nature and LaTiO3 has indirect band gap and it is semiconductor in nature. These cubic LaTiO3 and LaFeO3 have potential applications in solid oxide fuel cell cathodes, gas separation, superconductors, memory devices, electronic sensors, amplifiers, optical devices and photo catalysis.