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 pseudo-potential plane-wave method. Calculations for iron show an excellent agreement with experiments.
Magnons in real materials from density-functional theory / Gebauer, R.; Baroni, S.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 61:10(2000), pp. R6459-R6462. [10.1103/PhysRevB.61.R6459]
Magnons in real materials from density-functional theory
Baroni, S.
2000-01-01
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 pseudo-potential plane-wave method. Calculations for iron show an excellent agreement with experiments.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.