title: Miscibility of zinc sulfide and zinc phosphide.
abstract: Solid solutions in the system zinc sulfide/zinc phosphide (Zn(2+)(x)S(2-2xP(2x)) were investigated using the cyclic cluster model within the semiempirical MSINDO method. Results of cyclic cluster calculations for binding energies of the perfect ZnS and Zn(3)P(2) are presented and compared with the experimental data. The miscibility of ZnS and Zn(3)P(2) over the whole composition range of 0 < x < 1 was investigated by calculating the Gibbs free energy of mixing Delta(M)G for different values of x. A miscibility gap was found at both ends of the composition range and compared with experimental data.
authors.affiliation: Theoretische Chemie, Universität Hannover, Am Kleinen Felde 30, 30167 Hannover, Germany.
authors.forename: Karl
authors.initials: K
authors.lastname: Jug
authors.forename: Igor P
authors.initials: IP
authors.lastname: Gloriozov
authors.forename: Bettina
authors.initials: B
authors.lastname: Heidberg