Total-energy band calculations, including an antiferromagnetic extension of the fixed-spinmoment procedure, are used to study magnetovolume effects in bulk fcc iron and maganese. By constraining these systems to have a fixed tota1 magnetic moment in a single-atom fcc unit cell, we find magnetovolume instabilities in the form of first-order transitions from nonmagnetic to ferromagnetic behavior. Constraining the moments to have fixed values in a CuAu unit ce11 of two atoms to allow for antiferromagnetic (and field-induced ferrimagnetic) order alters these instabilities and yields second-order transitions from nonmagnetic to antiferromagnetic behavior at volumes coincident with the equilibrium volumes for both metals.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.