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Phonon spectra and thermal properties of some fcc metals using embedded-atom potentials /

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Show simple item record Bian, Qiuping. en_US 2009-06-15T17:00:46Z 2009-06-15T17:00:46Z 2005-06-15T17:00:46Z
dc.description.abstract By employing the embedded-atom potentials of Mei et ai.[l], we have calculated the dynamical matrices and phonon dispersion curves for six fee metals (Cu,Ag,Au,Ni,Pd and Pt). We have also investigated, within the quasiharmonic approximation, some other thermal properties of these metals which depend on the phonon density of states, such as the temperature dependence of lattice constant, coefficient of linear thermal expansion, isothermal and adiabatic bulk moduli, heat capacities at constant volume and constant pressure, Griineisen parameter and Debye temperature. The computed results are compared with the experimental findings wherever possible. The comparison shows a generally good agreement between the theoretical values and experimental data for all properties except the discrepancies of phonon frequencies and Debye temperature for Pd, Pt and Au. Further, we modify the parameters of this model for Pd and Pt and obtain the phonon dispersion curves which is in good agreement with experimental data. en_US
dc.language.iso eng en_US
dc.publisher Brock University en_US
dc.subject Phonons en_US
dc.subject Quasiparticles (Physics) en_US
dc.subject Iron group en_US
dc.subject Metals en_US
dc.title Phonon spectra and thermal properties of some fcc metals using embedded-atom potentials / en_US
dc.type Electronic Thesis or Dissertation en_US M.Sc. Physics en_US Masters en_US
dc.contributor.department Department of Physics en_US Faculty of Mathematics and Science en_US

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