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Study of phonon eigenfrequencies in ternary transition metal‐metalloid Fe 40 Ni 40 B 20 glass
Author(s) -
Gupta A.,
Bhandari D.,
Jain K. C.,
Saxe. S.
Publication year - 1996
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.2221950205
Subject(s) - pseudopotential , ternary operation , phonon , interatomic potential , pair potential , transition metal , materials science , amorphous metal , thermodynamics , condensed matter physics , supercooling , physics , chemistry , metallurgy , molecular dynamics , quantum mechanics , biochemistry , alloy , computer science , programming language , catalysis
The study of the ternary Fe 40 Ni 40 B 20 metal‐metalloid glass has been made through a partial pair‐potential approach. Six partial pair potentials of this ternary glass have been computed using pseudopotential‐based interatomic forces. In particular, the model employed here for the calculation of the potential is in analogy with the three‐partial‐structure‐factor approach of Sietsma and Thijsse with the assumptions that Fe and Ni atoms have identical distributions with respect to like neighbours and hence the partial pair potentials of Fe‐B and Ni‐B are identical. The calculated effective pair potential using the partial pair potentials is then employed to investigate the longitudinal and transverse phonon eigenfrequencies. Further, from the elastic part of the frequency spectrum, elastic and thermal properties have been computed. The computed results for these properties are found to be in good agreement with the available experimental results.