Study of effective pair potentials in cubic metals

Temperature dependencies of α-Fe, Mo and W metals EXAFS spectra were studied in order to determine the anharmonic pair potential and Morse potential parameters. Based on the analysis of obtained parameters for α-Fe, Mo and W as well as for Pb, Au, Ag, Ni, and Cu, obtained earlier, the correlations b...

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Veröffentlicht in:Physica. B, Condensed matter Condensed matter, 2003-06, Vol.334 (1), p.123-129
Hauptverfasser: Pirog, I.V., Nedoseikina, T.I.
Format: Artikel
Sprache:eng
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Zusammenfassung:Temperature dependencies of α-Fe, Mo and W metals EXAFS spectra were studied in order to determine the anharmonic pair potential and Morse potential parameters. Based on the analysis of obtained parameters for α-Fe, Mo and W as well as for Pb, Au, Ag, Ni, and Cu, obtained earlier, the correlations between pair potential parameters and melting temperature and dissociation energy have been found. These correlations were used to estimate the anharmonic pair potential parameters for Pt, Pd, V, Cr. Some thermodynamic characteristics of substances, including linear coefficient of thermal expansion α, Debye temperature T D, and Grunesien parameter γ for α-Fe, Mo, W, Pt, Pd, V and Cr were calculated via anharmonic pair potential parameters. Calculated values of α, γ, T D are in reasonable agreement with those, obtained by thermodynamic methods.
ISSN:0921-4526
1873-2135
DOI:10.1016/S0921-4526(03)00034-6