[Back]

I. Turek, J. Kudrnovsky, V. Drchal, P. Bruno:
"Exchange interactions, spin waves, and transition temperatures in itinerant magnets";
Philosophical Magazine, 86 (2006), 12; 1713 - 1752.

This contribution review s an ab initio two-step procedure to determine exchange
interactions, spin-wave spectra, and thermodynamic properties of itinerant
magnets. In the first step, the self-consistent electronic structure of a system
is calculated for a colliniar spin structure at zero temperature. In the second
step, parameters of an effective classical Heisenberg Hamiltonian are
defermined using the magnetic force theorem and the one-electron Green
functions. The Heisenberg Hamiltonian and methods of statistical physics
are employed in subseqnent evaluation of magnon dispersion laws, spin-wave
stiffnesi constants, and Curie/N6el temperatures. The applicability of the
developed scheme is illustrated by selected properties of various systems such
as transition and rare-earth metals, disordered alloys including diluted magnetic
semiconductors, ultrathin films, and surfaces. A comparison to other ab initio
approaches is presented as well.

http://aleph.ub.tuwien.ac.at/F?base=tuw01&func=find-c&ccl_term=AC05938329