Siberian Federal University

Electronic and geometric structure of -phase of crystal FeSi₂ is investigated by DFT calculations at different isotropic and axial pressures. It is revealed unusial increasing of the dielectric gap under the pressures. Also it is investigated electronic and geometric structure of FeSi₂ nanofilms as well as sili- con/iron silicide interface. It is defined that these nanofilms have surface reconstruction and corresponding conductivity. It is shown that contact of (001) silicon surface and corresponding surface of −FeSi₂ silicide lead to narrow perfet interface having conductivity near fermi level mainly due to contribution of the silicide surface layers.