Zero-energy modes in a super-chiral nanographene network of phenalenyl-tessellation molecules

Abstract

We have derived a general rule for the appearance of zero-energy modes in super-chiral defective nanographene. This “super-zero-sum rule” defines the appearance of zero modes in a new class of materials, called polymerized phenalenyl-tessellation molecules (poly-PTMs). Through theoretical modeling of the electronic states in these molecular forms, we provide concrete solutions for achieving the quantum-spin systems needed in quantum-information devices. The two-dimensional graph of electronic π-orbitals in the poly-PTM possesses a number of localized zero modes equivalent to that of vacancies in PTMs. In addition to the modes confined to each PTM, another type of zero mode may appear according to the super-zero-sum rule supported by super-chirality. Since the magnetic interactions among quantum-spins in the zero modes are determined by how they appear (which is governed by the super-zero-sum rule), our rule is indispensable for designing quantum-information devices using zero modes in poly-aromatic hydrocarbons and defective graphene with vacancies.