Abstract
Spontaneously spin-polarized states of and are investigated using a spin-density-functional description of the valence electrons and local pseudopotentials for their coupling to the ionic cores. We find that both systems have low-lying polarized isomers. An anomalous temperature dependence of the magnetic response in terms of a magnetic susceptibility rising with temperature is the practical consequence of this spin isomerism.
- Received 17 June 1997
DOI:https://doi.org/10.1103/PhysRevB.56.11149
©1997 American Physical Society