Ab InitioCalculation of the Gilbert Damping Parameter via the Linear Response Formalism

H. Ebert, S. Mankovsky, D. Ködderitzsch, P. J. Kelly
2011 Physical Review Letters  
A Kubo-Greenwood-like equation for the Gilbert damping parameter α is presented that is based on the linear response formalism. Its implementation using the fully relativistic Korringa-Kohn-Rostoker (KKR) band structure method in combination with Coherent Potential Approximation (CPA) alloy theory allows it to be applied to a wide range of situations. This is demonstrated with results obtained for the bcc alloy system Fe_xCo_1-x as well as for a series of alloys of permalloy with 5d transition
more » ... with 5d transition metals. To account for the thermal displacements of atoms as a scattering mechanism, an alloy-analogy model is introduced. The corresponding calculations for Ni correctly describe the rapid change of α when small amounts of substitutional Cu are introduced.
doi:10.1103/physrevlett.107.066603 pmid:21902352 fatcat:zdxlrkymoref5fegdbsnmsuaba