Theory Department
Max Planck Institute of Microstructure Physics
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Turek, I., Kudrnovsky, J., Drchal, V., Bruno, P.

Exchange interactions, spin waves, and transition temperatures in itinerant magnets
Philosophical Magazine 86, (12),pp 1713-1752 (2006)
This contribution reviews 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 collinear spin structure at zero temperature. In the second step, parameters of an effective classical Heisenberg Hamiltonian are determined using the magnetic force theorem and the one-electron Green functions. The Heisenberg Hamiltonian and methods of statistical physics are employed in subsequent evaluation of magnon dispersion laws, spin-wave stiffness constants, and Curie/Néel 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 of other ab initio approaches is presented as well.

TH-2006-22