Local spin density functional approach to the theory of exchange interactions in ferromagnetic metals and alloys

• Published in: Journal of magnetism and magnetic materials Vol. 67; no. 1; pp. 65 - 74
• Main Authors: Liechtenstein, A.I., Katsnelson, M.I., Antropov, V.P., Gubanov, V.A.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.05.1987; Elsevier Science
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Cross-disciplinary physics: materials science; rheology; Exact sciences and technology; Exchange and superexchange interactions; Magnetic properties and materials; Magnetically ordered materials: other intrinsic properties; Materials science; Metals, semimetals and alloys; Other topics in magnetic properties and materials; Physics; Specific materials; KKR method; Curie point; Disordered alloy; Exchange interaction; Spin wave; Theoretical study; Heisenberg model; Chemical composition; Ferromagnetism; Green function; Curie temperature
• ISSN: 0304-8853
• DOI: 10.1016/0304-8853(87)90721-9

Rigorous expressions for the exchange parameters of classical Heisenberg model applied to crystals are obtained using a local spin density functional (LSDF) approach and KKR-Green functions formalism. The spin wave stiffness constant and Curie temperature ( T c) of ferromagnetic metals are obtained without any model assumptions as to the character of exchange interactions. The concentration dependence of T c for binary ferromagnetic alloys is investigated in the framework of the single-site CPA-theory. The corresponding calculations are carried out for simple metals Fe, Ni and disordered NiPd alloys.