DESIGING ORGANIC MULTIFERROIC MATERIALS THROUGH DECORATIONS OF TRANSITION-METALMOLECULAR SANDWICH NANOWIRES

摘要

It is known that ferroelectricity, a property of materials with spontaneous electric polarizations that is switchable under external electric field, has a wide range of practical applications1. Multiferroics, coexistence of magnetism and ferroelectricity, are even more desirable for constructing multifunctional devices2 because of the prospect of controlling charges by applied magnetic field and spins by applied voltage. Using ab initio calculations, we show that transition-metal-molecular sandwich nanowires (SWNs) decorated with various chemical functional groups may not only possess electric dipole moments but also can produce ferroelectric or even multiferroic materials.