V.L. Moruzzi, P.M. Marcus, et al.
Physical Review B
The band structure of chromium dioxide, which is an important material because of its magnetic properties, has been calculated with the augmented spherical wave method by performing self-consistent spin-polarised calculations. The majority-spin electrons are metallic, whereas the minority-spin electrons are semiconducting. A new class of half-metallic ferromagnets is found in the rutile structure.
V.L. Moruzzi, P.M. Marcus, et al.
Physical Review B
P. Entel, E. Hoffmann, et al.
Physical Review B
K. Schwarz, E. Nusterer, et al.
International Journal of Quantum Chemistry
E. Nusterer, P.E. Blöchl, et al.
Chemical Physics Letters