PHONON-DISPERSION RELATIONS OF METALLIC NISI2 AND COSI2 BY SEMIEMPIRICAL TIGHT-BINDING CALCULATION

Citation
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
Journal title
ISSN journal
01694332
Volume
91
Issue
1-4
Year of publication
1995
Pages
103 - 106
Database
ISI
SICI code
0169-4332(1995)91:1-4<103:PROMNA>2.0.ZU;2-1
Abstract
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.