Pseudo Jahn-Teller Origin of Perovskite Multiferroics, Magnetic-Ferroelectric Crossover, and Magnetoelectric Effects: The d0-d10 Problem

The conditions of multiferroicity in dⁿ perovskites are derived from the pseudo Jahn-Teller effect, due to which ferroelectric displacements are triggered by vibronic coupling between ground and excited electronic states of opposite parity but same spin multiplicity; it takes place for some specific dⁿ configurations and spin states only. In combination with the high-spin-low-spin crossover effect this leads to a novel phenomenon, the magnetic-ferroelectric (multiferroics) crossover which predicts magnetoelectric effects with exciting functionalities including electric magnetization and demagnetization.