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Elastic and Bonding Properties of Transition Metals
Author(s) -
Walzer U.
Publication year - 1984
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.2221250104
Subject(s) - bulk modulus , transition metal , volume (thermodynamics) , thermodynamics , function (biology) , zero (linguistics) , materials science , modulus , condensed matter physics , derivative (finance) , chemistry , physics , composite material , organic chemistry , financial economics , economics , linguistics , philosophy , evolutionary biology , biology , catalysis
A theory linking the nearly‐free‐electron theory to d‐band broadening and hybridization effects is further developed in such a way that a model, called MA, for the energy, the pressure p , the bulk modulus and its derivatives with respect to pressure as a function of the relative volume x is created. The theoretical values of MA are compared with all known experimental data for transition metals. For predictions of the relative volume as a function of pressure as well as for the predictions of the first derivative of the bulk modulus with respect to pressure at zero pressure significant improvements are obtained. The approximation of measured values in the p – x plot is very good for most transition metals, in particular for iron, too, and good for the other metals.