a b s t r a c tThe electrical resistivity and the absolute thermoelectric power of liquid zinc, germanium, and zinc-germanium alloys have been measured as a function of temperature by 10 at.% steps between pure zinc and 70 at.% of germanium. The electronic transport properties of the pure liquid metals and alloys are evaluated in the framework of the extended Faber-Ziman theory using a single-site t-matrix. Different muffin-tin potentials are constructed using Hartree Fock and density functional theory (LDA and GGA), to interpret the electron-ion interaction. This formalism explains the anomalous temperature dependence of both the resistivity and the positive absolute thermoelectric power (ATP) of liquid zinc. Concerning the experimental first peak asymmetry of germanium and zinc, the static structure factors cannot be reproduced with hard spheres. They are better described for both pure metals and alloys by a square well pair potential.Ó 2009 Elsevier B.V. All rights reserved.
IntroductionRelative to the melting point of germanium (T m = 937°C), the low boiling point of zinc (T b = 906°C), make the experimental study of the transport properties of liquid germanium-zinc (GeZn) alloys difficult to realize using standard techniques. Such experiment could be achieved by using a new experimental technique [1]. Regarding the calculation of the resistivity (q) and the absolute thermoelectric power (ATP) of liquid Ge-Zn, new possibilities have been offered by using the density functional theory [2][3][4] to interpret the electron-ion interaction (form factor), while the atom-atom interaction (structure factor) is expressed by the square well potential [5][6][7][8]. The resistivity and the absolute thermoelectric power of pure germanium have been interpreted by Makradi et al. [9] and their temperature coefficient by Bestandji et al. [10]. The aim of this paper is to present our experimental results of the resistivity and the absolute thermoelectric power of Ge-Zn alloys, and to adopt the formalism used for pure metals [9,10] to calculate the transport properties of the Ge-Zn alloys.In Section 1, we present briefly our experimental technique for measuring the transport properties of high vapor pressure alloys. In Section 2, we recall the Faber-Ziman expression of the resistivity and absolute thermoelectric power. In Section 3, we describe briefly the construction of the muffin-tin potential and of energy dependent phase-shifts by taking into account recent density functional formalism developments. In Section 4, we discuss the method used to determine the Fermi energy. In Section 5, we present an analytical improvement on the determination of partial hard sphere structure of alloys by the so-called Silbert-Young [5] potential. Finally, in Section 6 we present our experimental results and compare them to our ab initio calculations.
Experimental methodThe experimental study of liquid germanium-zinc alloys is difficult because of the high vapor pressure of the pure zinc at the melting point of the pure germanium (germanium ...