Abstract
The validity of the so-called force theorem is critical for the computational/theoretical determination of the magnetocrystalline anisotropy (MCA) in the framework of local density theory. This theorem states that the spin-orbit coupling induced MCA energy is given by the difference in the fully relativistic band energies between two magnetization directions calculated with the same self-consistent scalar-relativistic potential. We show that the charge-and spin-density variations caused by spin-orbit coupling vanish to first order in the spin-orbit coupling strength. By the stationary property of the total energy functional, we establish rigorously the validity of the force theorem for surface/interface MCA. We show that our arguments also apply to a variant of the MCA force theorem and discuss problems of applying the force theorem for MCA in bulk systems with cubic crystalline symmetry.
Original language | English |
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Pages (from-to) | 337-341 |
Number of pages | 5 |
Journal | Journal of Magnetism and Magnetic Materials |
Volume | 159 |
Issue number | 3 |
DOIs | |
Publication status | Published - Jul 1996 |
ASJC Scopus subject areas
- Condensed Matter Physics