Miscibility of zinc sulfide and zinc phosphideстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Solid solutions in the system zinc sulfide/zinc phosphide (Zn2+xS2-2xP2x) 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 Zn3P2 are presented and compared with the experimental data. The miscibility
of ZnS and Zn3P2 over the whole composition range of 0 < x < 1 was investigated by calculating the Gibbs
free energy of mixing ¢MG for different values of x. A miscibility gap was found at both ends of the composition
range and compared with experimental data.