Preliminary results on non-relativistic APW band-structure calculations on cubic transition metals of the second series are reported to investigate the effects of the electronic configuration assumed in constructing the muffin-tin crystal potential. These effects are shown to be less relevant in the second series with respect to the first one. © 1978.
Effects of assumed electronic configuration on the electronic band calculations of second series transition metals
CASARIN, MAURIZIO;GRANOZZI, GAETANO;TONDELLO, EUGENIO
1978
Abstract
Preliminary results on non-relativistic APW band-structure calculations on cubic transition metals of the second series are reported to investigate the effects of the electronic configuration assumed in constructing the muffin-tin crystal potential. These effects are shown to be less relevant in the second series with respect to the first one. © 1978.
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