Document Type
Article
Original Publication Date
1990
Journal/Book/Conference Title
Journal of Applied Physics
Volume
67
Issue
9
DOI of Original Publication
10.1063/1.344889
Date of Submission
October 2015
Abstract
The effect of size and dimensionality on the magnetic moments of Fe, Co, and Ni have been studied theoretically by confining the atoms to various structural forms such as chains, surfaces, and thin films. The size of these systems is controlled by limiting the number of atoms. A new first‐principles theory is developed that enables us to study the electron spin density of states and moments of atoms in clusters containing two to a few thousand atoms. The theory is based upon the elementary principles governing the tight binding and linear combination of atomic orbitals formulations. It contains no adjustable parameters and can be applied to systems with or without topological symmetry. We have discovered quantum size effects on the magnetic moments of linear chains and these effects disappear when the chains contain more than 20 atoms. We have also found distinct effects of the local environment on the magnetic moment. For example, the moments increase with decreasing coordination number and increasing interatomic distance. Our results will be compared with available experimental and theoretical results.
Rights
Liu, F., Khanna, S. N., Jena, P. Effect of size and dimensionality on the magnetic moment of transition metals. Journal of Applied Physics 67, 4484 (1990). Copyright © 1990 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.344889