First Principles Study of Flat-Band Ferromagnetism in Polymers of Five-Membered Rings

Abstract

We have designed organic polymers consisting of five-membered rings with first principles calculations to realize flat-band ferromagnetism. We describe how we can fulfill the condition for the ferromagnetism in polymers by attaching appropriate functional groups to the five-membered rings. We further discuss how our original proposal [Arita et al., Phys. Rev. Lett. 88, 127202 (2002)] for the best candidate (polyaminotriazole) may even be improved by its chemical derivative. [DOI: 10.1380/ejssnt.2004.38]