Controllable density of states in molecular devices: the magnetic effect on cyclic molecules

TL;DR

This paper investigates how external magnetic fields can controllably modulate the density of states in cyclic molecules, revealing peak splitting and periodic shifts due to magnetic interactions, especially prominent in cyclic structures.

Contribution

It demonstrates the magnetic control of density of states in cyclic molecules, highlighting the magnetic effects on DOS peak splitting and modulation, which was not previously well understood.

Findings

DOS peaks split into two under magnetic field

Peak positions can be periodically modulated

Magnetic effects are more prominent in cyclic molecules

Abstract

Through the analysis of density of states (DOS), we study two different kinds of cyclic molecules, a sodium atomic circle and a Polycyclic Aromatic Hydrocarbons (PAH) molecule respectively under an external magnetic field. The results of calculation show that original DOS peaks split into two and the positions of peaks can be modulated periodically by controlling the magnetic field. We attribute this phenomenon to the interaction between the molecular orbital magnetic momentum and the magnetic field. Generally, this effect is obscure for a usual structure but obvious for the cyclic molecules.