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

TL;DR

This paper introduces a super-zero-sum rule that predicts zero-energy modes in super-chiral nanographene networks, enabling the design of quantum-spin systems for quantum-information devices.

Contribution

The paper presents a new super-zero-sum rule for predicting zero modes in polymerized phenalenyl-tessellation molecules, advancing the understanding of quantum states in defective nanographene.

Findings

Derived a general rule for zero-energy modes in super-chiral nanographene

Identified localized zero modes related to vacancies and super-chirality

Provided theoretical solutions for quantum-spin systems in molecular nanostructures

Abstract

We have derived a general rule for the appearance of zero-energy modes in super-chiral defective nanographene. This so-called "super-zero-sum rule" defines the appearance of zero modes in a new class of materials, which we call 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 $\pi$-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 electron zero modes in poly-aromatic hydrocarbons and defective graphene with vacancies.