A shortcut to gradient-corrected magnon dispersion: exchange-only case

Abstract

Ab initio calculations of the magnon dispersion in ferromagnetic materials typically rely on the adiabatic local density approximation (ALDA) in which the effective exchange-correlation field is everywhere parallel to the magnetization. These calculations, however, tend to overestimate the "magnon stiffness", defined as the curvature of the magnon frequency vs. wave vector relation evaluated at zero wave vector. Here we suggest a simple procedure to improve the magnon dispersion by taking into account gradient corrections to the ALDA at the exchange-only level. We find that this gradient correction always reduces the magnon stiffness. The surprisingly large size of these corrections ($\sim 30\%$) greatly improves the agreement between the calculated and the observed magnon stiffness for cobalt and nickel, which are known to be overestimated within the ALDA.

6 pages, 4 figures

References in corpus (3)

• Wannier-function approach to spin excitations in solids
• Ab initio calculation of spin fluctuation spectra using time dependent density functional perturbation theory, planewaves, and pseudopotentials
• U(1)$\times$SU(2) Gauge Invariance Made Simple for Density Functional Approximations

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