Magnetism of CaAs, CaP, and CaN half-metals

Abstract

First principles calculations indicate that CaAs, CaP, and CaN compounds are ferromagnets. Analysis of these and other II–V compounds that do not contain transition metal atoms shows that their magnetism derives from the spin polarization of the atomic p(anion) orbitals, which persists in the compounds of Ca, Sr, and Ba due to their large atomic radii.