Origin of the asymmetric spinodal decomposition in the Al-Zn system

• 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 fee 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.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

TEKNIK OCH TEKNOLOGIER  -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)

Nyckelord

random metallic alloys

electronic-structure

energy

approximation

phases

Publikations- och innehållstyp

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