Spatial dependence of the superexchange interactions for transition-metal trimers in graphene

TL;DR

This paper investigates how transition-metal trimers in graphene influence magnetic interactions and superexchange coupling, using density functional theory to explore potential spintronic applications.

Contribution

It provides a detailed analysis of magnetic interactions and superexchange mechanisms for transition-metal trimers in graphene, highlighting their potential for spintronic devices.

Findings

Transition-metal atoms induce magnetic moments in carbon atoms.

Presence of RKKY-like super-exchange coupling.

Electronic control of magnetic clusters in graphene.

Abstract

This study examines the magnetic interactions between spatially-variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic populations for the determination of the electronic and magnetic properties of the system. To explore the super-exchange coupling between the transition-metal atoms, we establish the magnetic magnetic ground states through a comparison of multiple magnetic and spatial configurations. Through an analysis of the electronic and magnetic properties, we conclude that the presence of transition-metal atoms can induce a distinct magnetic moment in the surrounding carbon atoms as well as produce an RKKY-like super-exchange coupling. It hoped that these simulations can lead to the realization of spintronic applications in graphene through electronic control of the magnetic clusters.