N. Deng et al., Relativistic calculation of magnetic linear response functions using the Korringa-Kohn-Rostoker Green's function method, J PHYS-COND, 13(38), 2001, pp. 8551-8564
The relativistic KKR (Korringa-Kohn-Rostoker) Green's function method of ba
nd-structure calculation supplies an extremely flexible basis for calculati
ng magnetic linear response functions of solids. An important feature of th
is approach is that it accounts properly for the influence of all relativis
tic effects. A brief introduction to this formalism is presented, together
with some recent extensions to it. In particular, the inclusion of the orbi
tal magnetization density induced by an external magnetic field allows a di
rect comparison with experiment for many different properties. This is demo
nstrated for the induced magnetic form factor, the magnetic susceptibility
and the Knight shift of transition metals. A further appealing feature of t
he KKR formalism is that it is applicable in principle to any complex syste
m. This property is exemplified by applications for the disordered alloy sy
stems AgxPd1-x and AgxPt1-x that are treated with the help of the coherent
potential approximation alloy theory.