Max-Planck-Institut für Mikrostruktur-
physik, Halle
Weinberg
2
D - 06120 Halle
+49 - 345 - 5582 537
+49 - 345 - 5582 765
lsandr@mpi-halle.de
PROJECTS
First-principle method for the calculation of magnons in real materials
PRINCIPAL INVESTIGATOR
|
PD Dr.
Leonid M. Sandratskii Max-Planck-Institut für Mikrostruktur- physik, Halle Weinberg
2 |
PROJECT RESEARCH ASSISTANT
ABSTRACT
The project deals with derivation, implementation and
application of the method for a first-principles calculation of
spinwaves in complex systems. The method provides comprehensive
information about the form and the energy of the spin-waves. The
method does not use mapping on the Heisenberg Hamiltonian and
consists in a constrained calculation within the density
functional theory for noncollinear magnetic configurations. The
minimized density functional is subjected to two types of
constraint: the symmetry constraint defining the wave vector of
the spin-wave and the constraint on the net magnetization of the
system. The method is applicable to the spin-waves in complex
ferromagnetic, ferrimagnetic and antiferromagnetic systems. The
generalization to the case of LDA+U approach and applications to
variety of magnetic systems will be performed.