Electronic structure and magnetic properties of penta-graphene nanoribbons

Abstract

2D penta-graphene sheets were cut along typical crystallographic orientations in order to construct various penta-graphene nanoribbon (P-GNR) models, and their electronic structures and magnetic properties were systemically investigated. It was demonstrated that P-GNRs are very versatile with rich and unique electronic and magnetic properties. In particular, bipolar magnetic semiconducting features can be achieved in the ferromagnetic state for all magnetic P-GNRs, which makes P-GNRs valuable for developing next-generation information storage devices. More interestingly, studies on the electric–magnetic coupling revealed that an applied transverse electric field can transform a P-GNR from a magnetic semiconductor to a half-metal with a wide band gap of 0.88 eV, which can achieve complete spin filtering even at room temperature. Important advantages of magnetism over graphene nanoribbons are thus expected.