Self-consistent energy bands and bonding of NiSi2

The energy bands and cohesive energy of Ni${\mathrm{Si}}_2$ 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 ${}_{}{}^{29}{}_{}{}^{}\mathrm{Si}$ 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 ${\mathrm{Ni}}_3$Si.