Document Type
Article
Original Publication Date
2004
Journal/Book/Conference Title
Physical Review B
Volume
70
Issue
16
DOI of Original Publication
10.1103/PhysRevB.70.165406
Date of Submission
May 2015
Abstract
Theoretical studies to investigate the effect of H absorption on the magnetic moment of small Fen and Con clusters have been carried out using gradient corrected density-functional approach. Our studies on clusters containing up to four transition metal and 2 H atoms show that the successive addition of H atoms can lead to monotonic or oscillatory change from the free cluster magnetic moment. A detailed analysis of the density of electronic states shows that the variations in the magnetic moment can be related to the location of the lowest unoccupied molecular orbital in the parent cluster. It is shown that the addition of hydrogen can substantially change the magnetic anisotropy. In particular Co3H2is shown to exhibit magnetic anisotropy that is higher than any of the known anisotropies in the molecular nanomagnets.
Rights
Jones, N.O., Beltran, M.R., Khanna, S.N., et al. Hydrogen adsorption and magnetic behavior of Fen and Con clusters: Controlling the magnetic moment and anisotropy one atom at a time. Physical Review B, 70, 165406 (2004). Copyright © 2004 American Physical Society.
Is Part Of
VCU Physics Publications
Comments
Originally published by the American Physical Society at: http://dx.doi.org/10.1103/PhysRevB.70.165406