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Unified study of metals on pseudopotential theory: Lead
Author(s) -
Sen D.,
Sarkar S. K.
Publication year - 1981
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.2221070221
Subject(s) - pseudopotential , condensed matter physics , phonon , lattice constant , electrical resistivity and conductivity , thermoelectric effect , seebeck coefficient , dispersion relation , lattice (music) , materials science , thermodynamics , statistical physics , physics , quantum mechanics , diffraction , acoustics
A comprehensive unified study of lattice‐mechanical and electronic properties of lead using the Heine‐Abarenkov model potential and Harrison's two‐parameter model potential is made. Screening functions proposed by Taylor and by Vashishta and Singwi, coupled with the two pseudopotentials are used in order to make a comparative study of their effectiveness. Properties studied include cohesive energy, equilibrium lattice parameter, second‐order elastic constants, pressure derivatives of second‐order elastic constants, equation of state (at T = 0), and phonon dispersion relation of crystalline lead and the resistivity and thermoelectric power of the liquid metal. Inspite of its excellence in reproducing one set of properties, Harrison's potential is found to be inadequate for a unified study. The Heine‐Abarenkov potential, on the other hand, is found to be better suited for the purpose. The liquid metal resistivity, however, is found to be much lower than the experimental value. In fact, it is pointed out that this is a common feature of all unified studies with pseudopotentials.