Adhesive Properties of the TiAl/Al2O3 Interface

A systematic study of the atomic and electronic structure of the interface between the γ-TiAl alloy and α-Al2O3(0001) oxide depending on the contact configuration is performed within the density functional theory. The work of separation of the alloy film from the oxide surface is calculated for its various terminations. It is shown that high values of adhesion energy can be obtained at the interface with an O-termination of alumina due to the large ionic contribution to chemical bonding. An analysis of structural and electronic factors responsible for the decrease in adhesion at the interface with the metal oxide termination is performed. The calculation of the interfacial energy confirmed that the interface with the O-termination of alumina is energetically preferable.