Abstract

The Fermi surface and the phase equilibria in the Al-Zn system are studied theoretically in the framework of the density-functional theory, linear muffin-tin orbital method, and the Green's function technique. Analyzing the Fermi surfaces of the random alloys, we find a series of electronic topological transitions within the stability range of the fcc solid solution. A relation between these transitions and the phase stabilities of fcc Al-Zn is established. We show that the asymmetry of the miscibility gap as well as of the mixing energy are due to the electronic topological transitions in the system.

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