Adhesive properties of TiAl/Al₂O₃ interface | Izvestiya vuzov. Fizika. 2020. № 5. DOI: 10.17223/00213411/63/5/3

Adhesive properties of TiAl/Al₂O₃ interface

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

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Keywords

граница раздела, адгезия, химическая связь, электронная структура, теория функционала электронной плотности, interface, adhesion, chemical bonding, electronic structure, density functional theory

Authors

Name	Organization	E-mail
Bakulin A.V.	Institute of Strength Physics and Materials Science of SB RAS; National Research Tomsk State University	bakulin@ispms.tsc.ru
Kulkov S.S.	National Research Tomsk State University	sskulkov@ispms.tsc.ru
Kulkova S.E.	Institute of Strength Physics and Materials Science of SB RAS; National Research Tomsk State University	kulkova@ms.tsc.ru

Всего: 3

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