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Binding Energy and Compressibility of Body‐Centered Cubic and Close‐Packed Hexagonal Sodium
Author(s) -
Saxena V. K.,
Kapoor Q. S.,
Bhattacharya D. L.
Publication year - 1969
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.19690340113
Subject(s) - binding energy , coulomb , compressibility , close packing of equal spheres , hexagonal crystal system , sodium , crystallography , materials science , energy (signal processing) , thermodynamics , phase (matter) , chemistry , atomic physics , physics , quantum mechanics , organic chemistry , metallurgy , electron
The binding energies of the b.c.c. and c.p.h. phases of sodium have been computed using Hellmann‐type and modified Coulomb pseudopotentials. The binding energy of the c.p.h. structure is found to be about 2% more at 5°K than that of the b.c.c. structure as calculated from these pseudopotentials. The compressibility of the b.c.c. phase has also been calculated. The computed values give a fair agreement with the experimental results wherever available.