Issue 46, 2011

Induced magnetism in transition metal intercalated graphitic systems

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 μB to 4.10 μB, 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.

Graphical abstract: Induced magnetism in transition metal intercalated graphitic systems

Article information

Article type
Paper
Submitted
24 Jul 2011
Accepted
15 Sep 2011
First published
26 Oct 2011

J. Mater. Chem., 2011,21, 18681-18685

Induced magnetism in transition metal intercalated graphitic systems

T. P. Kaloni, M. U. Kahaly and U. Schwingenschlögl, J. Mater. Chem., 2011, 21, 18681 DOI: 10.1039/C1JM13527A

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