Phase stability and structural properties of the K${}_x$Ca${}_{1-x}$N novel ferromagnetic alloy from first-principles

K. Larbaoui, A. Lakdja, G. Bassou

We study the structural properties and phase stability of the K${}_x$Ca${}_{1-x}$N alloy using the regular-solution model based on the total energy of the mixing. The pseudopotential…