Magnons in real materials from density-functional theory

Publisher Website
Google Scholar
Abstract
We present an implementation of the adiabatic spin-wave dynamics of Niu and Kleinman. This technique allows to decouple the spin and charge excitations of a many-electron system using a generalization of the adiabatic approximation. The only input for the spin-wave equations of motion are the energies and Berry curvatures of many-electron states describing frozen spin spirals. The latter are computed using a technique based on constrained density-functional theory, within the local spin-density approximation and the pseudopotential plane-wave method. Calculations for iron show an excellent agreement with experiments.
All Related Versions