Interactive laws of the components described by Gibbs energy functions of CC theory are different from each other, but each G-function can be used to draw the phase diagram of Ag-Cu system with almost the same accuracy. The partial molar properties of the components obtained from all these G-functions are identical. This shows the defects of thermodynamics of alloys. The thermodynamic properties of Ag-Cu alloys and their components have been calculated by the correct G-function which is chosen through a relative study of the energy, volume, atomic arrangement and electronic structure.
By one-atom theory, the electronic structure of pure Al metal with f. c. c. structure has been determined to be [Ne](3s c)1.8790 (3p c)0.4982 (3s f+3p f)0.6228. According to this electronic structure, the potential curve, lattice constant, cohesive energy, elastisity, and the temperature dependence of the linear thermal expansion coefficients have been calculated. The electronic structures and characteristic properties of Al metals with b. c. c., h. c. p. structures and liquid have been studied. It is argued that the pure Al metal with f. c. c. structure can exist naturally, but with b. c. c. and h. c. p. structures cannot.
