Abstract
The energy bands and cohesive energy of Ni are calculated with the use of the self-consistent linear combination of Gaussian orbitals method. Partial densities of states are calculated and integrated to obtain ionicities. Covalent bonding is displayed in a contour plot. The nuclear-magnetic-resonance relaxation time is calculated and found to be in excellent agreement with experiment. All results are contrasted with those we recently obtained in a similar calculation of Si.
- Received 22 September 1981
DOI:https://doi.org/10.1103/PhysRevB.26.6379
©1982 American Physical Society