Magnons in real materials from density-functional theory

1999/08/26 by Ralph Gebauer, Stefano Baroni · 3 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #Quantum and electron transport phenomena #Quantum, superfluid, helium dynamics #cond-mat

paper · pdf · doi:10.1103/physrevb.61.r6459

1 LaTeX file and 1 postscript figure

arxiv created 1999/08/26 · openalex publication_date 2000/03/01 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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.

Citations

• A local exchange-correlation potential for the spin polarized case. i
• Self-interaction correction to density-functional approximations for many-electron systems
• Self-Consistent Equations Including Exchange and Correlation Effects
• The Quantum Theory of Optical Coherence

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