Simulation of iron impurity in BaTiO3 crystals

Iron-doped barium titanate (BaTiO3) has been simulated taking into account cubic and tetragonal crystallographic lattices of the crystal. A quantum-chemical method based on the Hartree-Fock formalism has been used throughout the study. The calculated equilibrium structures of Fe-doped crystals revea...

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Glavni avtor: Stashans, A. (author)
Drugi avtorji: Castillo Malla, D. (author)
Format: article
Izdano: 2009
Teme:
Online dostop:http://dspace.utpl.edu.ec/handle/123456789/19284
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