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Author Dayal, B. ♦ Tripathi, B. B.
Sponsorship USDOE
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Publisher American Institute of Physics (AIP)
Language English
Subject Keyword CHEMISTRY
Abstract A method of setting up a secular determinant for copper is described in which the ion--ion force constants are not based on hypothetical force mcdels but were derived from known expressions appearing in the theory of metallic cohesion. Numerical calculations were made for copper. The Coulomb coupling coefficient was taken from Kellermann's work on sodium chloride, while the contribution of the ion-ion exchange was calculated from Fuchs' force constants. The single elastic constant due to the remaining terms of the irteraction was calculated, and was used to find an expression for the electronic coupling coefficient on the lines of Bhatia's work. There was good agreement between the calculated frequencies for the longitudinal 110 branch and the experimertal ones observed in neutron scattering. The calculated B-T curve was found to be about 6 to 7% higher than the experimental curve. This is due to the fact that the repulsive force constant of Fuchs is deftnitely an overestimate and gives higher value of C<sub>44</sub>. If this constant is calculated from observed value of (C<sub>11</sub>-- C<sub>12</sub>) and C<sub>44</sub>, the calculated curve will almost coincide with the experimental one without spoiling the agreement with the results of neutron scattering.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 1962-01-01
Publisher Department Banaras Hindu Univ., Varansi, India
Journal Journal of Chemical Physics
Volume Number 36
Issue Number 11
Organization Banaras Hindu Univ., Varansi, India


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