S. Sanguinetti et al., PHONON-DISPERSION RELATIONS OF METALLIC NISI2 AND COSI2 BY SEMIEMPIRICAL TIGHT-BINDING CALCULATION, Applied surface science, 91(1-4), 1995, pp. 103-106
Citations number
14
Categorie Soggetti
Physics, Condensed Matter","Chemistry Physical","Materials Science, Coatings & Films
We report some preliminary results concerning the phonon dispersion re
lations and the density of states of NiSi2 and CoSi2 obtained with sem
i-empirical tight-binding calculations. In the nickel disilicide case
we obtain a good agreement to the experimental disorder-activated Rama
n spectrum. For CoSi2 we point out that the independent behavior of th
e acoustic dispersion relations with respect to the optical branches,
formerly predicted on the basis of neutron scattering data, does not m
atch with the low-frequency position of Raman and infrared modes, very
recently observed and confirmed by ab-initio calculations.