Tight-binding molecular-dynamics study of ferromagnetic clusters
- 15 April 1998
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 57 (16) , 10069-10081
- https://doi.org/10.1103/physrevb.57.10069
Abstract
A minimal parameter tight-binding molecular-dynamics scheme incorporating a Hubbard Hamiltonian for the treatment of magnetic effects is detailed. The computational efficiency of the scheme allows applications to cluster sizes well beyond the range of ab initio techniques. The method is used to obtain magnetic moments of Ni, Fe, and Co clusters in excellent agreement with experiment.Keywords
This publication has 80 references indexed in Scilit:
- Surface-Enhanced Magnetism in Nickel ClustersPhysical Review Letters, 1996
- Magnetism from the Atom to the Bulk in Iron, Cobalt, and Nickel ClustersScience, 1994
- Magnetic moments of iron clusters with 25 to 700 atoms and their dependence on temperaturePhysical Review Letters, 1993
- Local and nonlocal density functional study of Ni4 and Ni5 clusters. Models for the chemisorption of hydrogen on (111) and (100) nickel surfacesThe Journal of Chemical Physics, 1991
- Theory of magnetic and structural ordering in iron clustersPhysical Review B, 1991
- Magnetic behavior of clusters of ferromagnetic transition metalsPhysical Review Letters, 1991
- Magnetic properties of free cobalt clustersPhysical Review Letters, 1991
- Spin relaxation in small free iron clustersPhysical Review Letters, 1990
- Magnetic behavior of free-iron and iron oxide clustersPhysical Review B, 1985
- SuperparamagnetismJournal of Applied Physics, 1959