Atomic and Electronic Structure of the Al2O3/Ti5Si3 Interface

The atomic and electronic structure of the Al 2 O 3 /Ti 5 Si 3 interface has been calculated for the first time by the method of projected augmented waves within the electron density functional theory. The values of the adhesion energy are determined depending on the cleavage plane. It is shown that the work of separation obtained for the plane passing through the interplanar distance closest to the interface in titanium silicide is significantly less than that at the interface.