First-principles relativistic theory of the magnetic response of paramagnetic metals: Application to yttrium and scandium

V. Thakor, J. B. Staunton, J. Poulter, S. Ostanin, B. Ginatempo, Ezio Bruno
2003 Physical Review B (Condensed Matter)  
We describe a first-principles theoretical formalism for the magnetic response of paramagnetic metals in which all relativistic effects such as spin-orbit coupling are included. In particular, the easy axis and dependence upon wave vector q of the paramagnetic spin susceptibility (q) can be calculated. To illustrate we apply the method to two transition metals, yttrium and scandium. In each case we find (q) to peak at a wave vector qϭ(0,0,0.57)/c, coincident with a Fermi surface nesting vector,
more » ... and to have an easy axis perpendicular to q. Since (q) plays a key role in determining the interaction between magnetic impurities in these metals, these results are consistent with the helical antiferromagnetic order found in many dilute rare-earth Y alloys. Conversely, the easy axis for the response to a uniform magnetic field, qϭ0, lies along the c axis.
doi:10.1103/physrevb.68.134412 fatcat:p4v3knynxvebxhvuzfdgcd4o2m