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.