Document Type
Article
Original Publication Date
2002
Journal/Book/Conference Title
Journal of Applied Physics
Volume
91
Issue
10
DOI of Original Publication
10.1063/1.1450786
Date of Submission
October 2015
Abstract
We have performed density-functional-based electronic structure calculations on a single Fe8 molecular nanomagnet. Our calculated total moments and local moments are in excellent agreement with experiment. By including spin–orbit coupling we determine the easy, medium, and hard axes and find the ordering of the principle axes also agrees with experiment. From our calculated anisotropy Hamiltonian, we calculate the oscillations in the tunnel splittings and compare to the experimental results.
Rights
Pederson, M. R., Kortus, J., Khanna, S. N. Electronic-structure-based investigation of magnetism in the Fe8 molecular magnet. Copyright © 2002 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.1450786