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Local Heine‐Abarenkov Potential with Volume‐Dependent Parameters of Al
Author(s) -
Soma T.,
Konno Y.,
Kagaya H.B.
Publication year - 1983
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.2221170237
Subject(s) - pseudopotential , zero (linguistics) , volume (thermodynamics) , equation of state , thermodynamics , mathematics , statistical physics , materials science , physics , condensed matter physics , philosophy , linguistics
A local Heine‐Abarenkov model potential with volume‐dependent parameters is proposed for Al. Two parameters are determined by satisfying the zero pressure condition and the first zero of the empirical pseudopotential interpolated from band calculations. Calculated values of cohesive energy and the equation of state are in good agreement with the experimental data.