Induced magnetism in transition metal intercalated graphitic systems

TL;DR

This study uses density functional theory to explore how intercalating transition metals into layered graphitic systems induces magnetism, with potential applications in spintronics and nanoelectronics.

Contribution

It provides detailed insights into the magnetic properties induced by different transition metals in layered graphitic structures, highlighting the potential for spintronic applications.

Findings

Mn, Fe, Co induce significant magnetic moments.

Ni and Cu do not induce magnetism.

Stacking order affects spin polarization.

Abstract

We investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated transition metal atoms (Mn, Fe, Co, Ni, and Cu). Using density functional theory, we find induced spin-polarization of the C atoms both when the graphene sheets are aba stacked (forming graphite) and aaa stacked (resembling bi-layer graphene). The magnetic moment induced by Mn, Fe, and Co turns out to vary from 1.38 {\mu}B to 4.10 {\mu}B, whereas intercalation of Ni and Cu does not lead to a magnetic state. The selective induction of spin-polarization can be utilized in spintronic and nanoelectronic applications.