The effects of magnetization on phonon frequencies are investigated for FCC Ni from first principles by combining the fixed spin moment method and density functional perturbation theory (DFPT) as implemented with the all-electron full-potential linearized augmented plane wave (FLAPW) method. We explicitly show that the phonon frequencies change appreciably as the magnetic moment varies, and that the magnetic effect on phonon frequencies comes from the mixed role of the spin-dependent screening, as proposed by Kim, and the effect of magnetostriction.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics