About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Physical Review B
Paper
Evidence for low octahedral-shell potential in BaTiO3 and KNbO3 from ground-state splitting of Fe3+ in cubic oxides
Abstract
Measured octahedral S526-state splittings a(d) of Fe3+ paramagnetic ions in near-cubic oxides are compared, and vary in a systematic way as a function of lattice parameter 2 d. In BaTiO3 and KNbO3 a(d) is a factor 2.5 too small. This gives microscopic electronic evidence for a 30% low octahedral-shell potential V4 in these two ferroelectrics. In contrast to other ABO3 crystals these two undergo the cubic-to-rhombohedral phase-change sequence and have anisotropic overdamped soft modes. © 1976 The American Physical Society.