A Pseudopotential Calculation of Phonons in Copper
Brind Kumar, Kshitija Sharma
Abstract
Brind Kumar, Kshitija Sharma
Abstract
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.
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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.
Key concepts: Pseudopotential, Phonon, Copper, Compressibility, Representation (politics), Condensed matter physics, Ion, Chemistry