A two-dimensional magnetic carbon allotrope of hexagonally arranged fused pentagons

Abstract A two-dimensional magnetic carbon allotrope of hexagonally arranged fused pentagons is theoretically predicted through the copolymerization benzene and spiro[4.4]nonatetraene. The hexagonal spiro-graphene has ferromagnetic antiferromagnetic phases as its respective ground metastable states, two states being almost degenerate in energy because Dirac band at Fermi level narrow. polarized electron spin distributed throughout a network three-fold coordinated C atoms surrounded by four-fold atoms. sheet these also possesses an electrostatic polarization normal to atomic layer arrangement along this direction asymmetric.