Relativistic calculation of magnetic linear response functions using the Korringa-Kohn-Rostoker Green's function method

Citation
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
Citations number
45
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
13
Issue
38
Year of publication
2001
Pages
8551 - 8564
Database
ISI
SICI code
0953-8984(20010924)13:38<8551:RCOMLR>2.0.ZU;2-Q
Abstract
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.