Possible magnetic states in buckybowl molecules

TL;DR

This paper investigates magnetic properties in buckybowl molecules using the Hubbard model, revealing structure-dependent magnetism in sumanene and edge-state magnetism in C60, indicating a transition from molecular to nanographene-like magnetism.

Contribution

It demonstrates how molecular structure influences magnetism in buckybowl molecules and identifies edge-state magnetism in C60, highlighting a transition to nanographene-like behavior.

Findings

Magnetism in sumanene depends on molecular structure.

Edge states are present along zigzag edges of C60.

Transition from molecular to nanographene-like magnetism is observed.

Abstract

Possible magnetic properties are studied in the buckybowl molecules: the sumanene and a part of C_60. The Hubbard model is applied to the systems. We find that the molecular structure determines the magnetism in the sumanene. On the other hand, the edge state is found along the zigzag edge of a part of C_60. Therefore, the novel property, transition from molecular magnetism to the magnetism like in nanographene, is found.