Magnetocrystalline Anisotropy Energy of a Transition Metal Monolayer: A Non-perturbative Theory

Abstract

The magnetocrystalline anisotropy energy $E_{anis}$ for a monolayer of Fe and Ni is determined using a fully convergent tight-binding calculation including $s$-$d$ hybridization. The spin-orbit interaction ${\lambda }_{so}$ is treated non-perturbatively. Remarkably, we find $E_{anis}\propto {\lambda }_{so}^2$ and important contributions to $E_{anis}$ due to the lifting of degeneracies near the Fermi-level. This is supported by the calculated decrease of the anisotropy energy with increasing temperature on a scale of several hundred K. Our results clarify the present debate on the origin of $E_{anis}$.

11 pages (RevTeX) with 2 figures, appended as Postscript files

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