Magnon spectrum and related finite-temperature magnetic properties: A first-principle approach
Max-Planck Research Group "Theory of Complex and Correlated
University of Technology - D-01062 Dresden, Germany
Accepted: 26 May 1997
It is shown that the magnon spectrum of magnetically ordered crystals can be calculated using a frozen magnon scheme and spin density functional theory in the local approximation. Ab initio calculated magnon spectra for Fe and Ni are presented. Kohn anomalies are predicted for the magnon spectrum of Fe. Considering the magnons as true low-lying thermal excitations and using mean-field semi-classical statistics at elevated temperatures, the finite-temperature magnetization and Curie temperature TC are calculated, which compare well with experiment for Fe, Co, and Ni.
PACS: 75.30.Ds – Spin waves / 75.10.Lp – Band and itinerant models / 75.30.Cr – Saturation moments and magnetic susceptibilities
© EDP Sciences, 1997