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d‐Electrons and Dispersion Relations in B.C.C. Zirconium
Author(s) -
Rathore R. P. S.
Publication year - 1980
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.2220990232
Subject(s) - electron , zirconium , dispersion (optics) , phonon , dispersion relation , core electron , transition metal , coupling (piping) , metal , condensed matter physics , atomic physics , physics , materials science , chemistry , inorganic chemistry , quantum mechanics , biochemistry , metallurgy , catalysis
A new scheme, comprising of all the possible interactions coupling various constituents of the b.c.c. transition metal is developed. It is inferred that the electrons partially filling the d‐levels (called d‐electrons) of these metals contribute significantly towards the Cauchy discrepancy. The crystal equilibrium is considered under the combined influence of cores d‐electrons and s‐electrons. Deformation parameters associated with these electrons are evaluated on the consideration of their respective energies. The dispersion relations, thus derived, are employed to predict the phonon frequencies in b.c.c. zirconium. Recently reported data on the phonon‐energy of this metal are compared and a promising good agreement is obtained.