Abstract
We present a polarizable point-charge model for the KTa${\mathrm{O}}_{3}$ lattice that permits the calculation of the off-center displacement $d$ of Li ions that substitute for K. We find $d=1.35$ \AA{} in good agreement with a value $d=1.26$ \AA{} derived from NMR measurements. The permanent dipole created by the off-center Li ion is found to be screened by the dipoles induced in the lattice: The "screening volume" is strongly anisotropic, reminiscent of the correlation volume for polarization fluctuations. The dielectric susceptibility of the Li-dipole system is considerably enhanced by local-field effects.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
