Elastic and Bonding Properties of Transition Metals

Abstract 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.