Abstract
In this work a new theoretical study is undertaken of the electronic structure of ABO 3 materials and role of the BO 6 octahedron containing Ti, Nb, and Ta in paraelectric and ferroelectric phases. The results of this work show that, cluster calculations by the X f method (in ferroelectric and paraelectric phases) even for a minimum cluster can describe the nonlocal electronic properties of ABO 3 and can be used in discussions of the physical properties of these compounds.
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