PRESSURE INDUCED PHASE TRANSITION OF LaAlO3 PEROVSKITE
D.S. Jayalakshmi
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PRESSURE INDUCED PHASE TRANSITION OF LaAlO3 PEROVSKITE

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A computational investigation over structural and electronic properties of perovskite compound namely LaAlO3 using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed under the effect of pressure to brief the trend of phase transition in the present compound. The compound is investigated up to the pressure of 9.068 GPa from the ambient condition. In this study, the cubic structural properties of the proposed compound are analyzed under pressure and initiated with a = 7.2108 bohr belonging to cubic pr...