Abstract
Abstract While pure KTaO3 is an incipient ferroelectric which does not undergo any phase transition, KNbO3 undergoes a sequence of three phase transitions. Our specific goal is to clarify the validity of the nonlinear shell model to describe the totally different behavior observed in KTaO3 and KNbO3, by comparing the underlying static potential for different atomic distortions with recent ab-initio calculations.
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