https://doi.org/10.1007/s100530170087
Magnetic excitation of ferromagnetic dimer molecules
Department of Computational Science, Faculty of Science, Kanazawa University, Kanazawa 920-1192, Japan
Corresponding author: a oda@cphys.s.kanazawa-u.ac.jp
Received:
29
November
2000
Published online: 15 September 2001
The magnetic excitation in ferromagnetic dimer molecules was studied with using the local spin-density approximation. The equation of motion for the atomic magnetic moment was presented. To obtain adiabatic excited states, we implemented a penalty energy technique, which imposes a frozen spin configuration. Calculation conditions of the technique were examined. We applied the method to ferromagnetic dimer molecules, Fe2, and estimated the magnetic excitation energy. We discussed the magnetic interaction between atoms with mapping the result onto the Heisenberg model.
PACS: 31.50.+w – Excited states / 31.15.Ar – Ab initio calculations / 71.15.Pd – Molecular dynamics calculations (Car-Parrinello) and other numerical simulations / 75.50.Bb – Fe and its alloys
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2001
