材料期刊网

The linearized augmented-plane-wave method is used to study the electronic density nw, at the boundary of the Wigner-Seitz cell for bce and fee elemental metals. The calculated n(ws) is generally in good agreement with the results derived from an empirical formula that was introduced by Miedema and co-workers. A formula is introduced to calculate the bulk modulus of materials using n(ws), and from it another formula for calculating the relationship between the external pressure and the volume of materials is derived. As an example, the pressure-volume compression curve for Cu is calculated. The limitations and features of the conventional method and our method for calculating the bulk modulus of materials are discussed.