A.L.Ivanovsky, O.Yu.Kontsevoy, A.N.Skazkin
Received February 9, 1998
Electron energy properties
of cubic solid solutions Sc0.75M0.25C0.50N0.25O0.25
(M = Ti, Zr, Hf) with different ordering types of various atoms have been
studied using the non-empirical band method LMTO-OAS. The nature of local
interatomic bonds is considered also within the frame of cluster LCAO method
with PMX parametrization. The most energetically favorable atomic ordering
configurations of components in single-phase solid solutions have been
established. A possibility of polytypes formation on Sc-M-C-N-O systems
has been supposed.