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A Pseudopotential Calculation of Phonons in Copper
Author(s) -
Kumar B.,
Sharma K. S.
Publication year - 1982
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221130106
Subject(s) - pseudopotential , phonon , copper , compressibility , representation (politics) , condensed matter physics , ion , chemistry , physics , quantum mechanics , thermodynamics , politics , organic chemistry , political science , law
Abstract The pseudopotential theory of d‐band metals is used for the calculation of phonons in copper by employing a linear form of the model pseudopotential for representing the electron—ion interaction and Moriarty's form for the overlap interaction of d‐bands. The computed frequencies compare well with the experimental data. The validity of the approach is further confirmed through a satisfactory representation of binding energy, compressibility, and elastic constants.