2005•Solid State CommunicationsRequires access

First-principle calculations of structural, electronic and optical properties of BaTiO3 and BaZrO3 under hydrostatic pressure

R. Khenata, M. Sahnoun, Hadj Baltache, Michel Rérat, A.H. Rashek, N. Illes, Bachir Bouhafs

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Key concepts: WIEN2k, Bulk modulus, Local-density approximation, Lattice constant, Hydrostatic pressure, Plane wave, Condensed matter physics, Electronic structure

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First-principle calculations of structural, electronic and optical properties of BaTiO3 and BaZrO3 under hydrostatic pressure — Research Paper | ScholarLens