Abstract
The local-spin-density approximation is used to calculate the energy bands of both the ferromagnetic and paramagnetic phases of metallic . The Fermi level lies in a peak in the paramagnetic density of states, and the ferromagnetic phase is more stable. As predicted by Schwarz, the Fermi level lies in an insulating gap in the minority-spin bands between oxygen p and chromium d states (``half-metallic'' behavior). The resulting magnetic moment is 2 per Cr atom, in agreement with experiment. The Raman frequency is predicted to be 587 . Drude plasma frequencies are of order 2 eV, as seen experimentally by Chase. The measured resistivity is used to find the electron mean free path ℓ, which is only a few angstroms at 600 K, but, nevertheless, resistivity continues to rise as temperature increases. This puts into the category of ``bad metals'' in common with the high- superconductors, the high-T metallic phase of , and the ferromagnet . In common with both and , the measured specific-heat parameter γ is higher than band theory predicts by a renormalization factor close to 4.
DOI:https://doi.org/10.1103/PhysRevB.55.10253
©1997 American Physical Society