Physics – Condensed Matter – Materials Science
Scientific paper
2004-04-14
Phase Transitions 78(1-3), p.47-59 (2005)
Physics
Condensed Matter
Materials Science
16 pages, 7 Postscript figures, submitted to Phase Transitions as proceedings of the SDHS'03 Symposium, Duisburg, November 200
Scientific paper
Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown that the isotropic Heisenberg model does not provide an adequate description of magnetization at low temperatures; an inclusion of single-site anisotropy terms does not help to improve the situation either. We suppose that the magnetostriction of the molecule and hence the dependence of interatomic coupling parameters on the magnetization might be important for an adequate description of magnetic properties. The first-principle calculations confirm the system's general preference for antiferromagnetic coupling, as well as the failure of the isotropic Heisenberg model. A conjugated-gradient search for the relaxed structure of the "Ni_4" molecule in ferromagnetic and antiferromagnetic configurations did not show any clear tendency to diversification of interatomic distances. These calculations however have not yet included the spin-orbit coupling, which can be essential for analyzing the effects of magnetostriction.
Brueger M.
Postnikov Andrei Viktor
Schnack Juergen
No associations
LandOfFree
Exchange interactions and magnetic anisotropy in the "Ni_4" magnetic molecule does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Exchange interactions and magnetic anisotropy in the "Ni_4" magnetic molecule, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Exchange interactions and magnetic anisotropy in the "Ni_4" magnetic molecule will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-9809