Density-functional approach to spin-density waves
Instituto de Física de São Carlos,
Universidade de São Paulo Caixa Postal 369, São Carlos, 13560-970 SP,
Accepted: 24 November 1999
We propose a novel density-functional approach to antiferromagnetism and spin-density waves. Nonlocal antiferromagnetic correlations and possible noncollinear spin configurations are incorporated via a staggered density, which enters the formalism on the same footing as the particle density. We establish the pertinent generalization of the Hohenberg-Kohn theorem, derive the associated Kohn-Sham equations, outline the construction of approximations for the corresponding exchange and correlation functional, discuss the relation of the present method to other density-functional approaches, and report a first application to a simple model system.
PACS: 75.30.Fv – Spin-density waves / 71.15.Mb – Density functional theory, local density approximation / 75.50.Ee – Antiferromagnetics
© EDP Sciences, 2000