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...

• المؤلف الرئيسي: Stashans, A. (author)
• مؤلفون آخرون: Castillo Malla, D. (author)
• التنسيق: article
• منشور في: 2009
• الموضوعات: BaTiO 3
• الوصول للمادة أونلاين: http://dspace.utpl.edu.ec/handle/123456789/19284