title: Fe-Al-C carbide phase nano-layer investigation as a substrate for epitaxial diamond growth.
abstract: Calculations of electron structure of supercells consisting of several layers of ordinary stoichiometric K-phase and modified K-phase, on which according to our assumptions epitaxial growth of diamonds is possible, were conducted. Stability of calculated cells was considered, and optimal number of layers of the stoichiometric K-phase in the supercell was determined in order for it to be thermodynamically stable. Electronic structure of carbon in the modified K-phase layer was considered and compared to electron structure of carbon in diamond.
authors: G. V. Kurdyumov Institute for Metal Physics of the N.A.S. of Ukraine, 36 Academician Vernadsky Boulevard UA-03680, Kyiv -142, Ukraine.
authors: Alexander
authors: A
authors: Mekhed
keywords: Diamond; Electronic structure; Epitaxial growth; K-phase; Supercell