Prediction of Epitaxial Interfaces for Mn2GaC MAX Phase Thin Films with Various Substrates

Tarasov, I., Visotin, M., Nazarova, Z., (...), Varnakov, S., Ovchinnikov, S.// Physica Status Solidi - Rapid Research Letters//

https://doi.org/10.1002/pssr.202400279

The epitaxial alignment of Mn₂GaC MAX phase on 12 common single-crystalline substrates is analyzed through a crystallographical approach utilizing near-coincidence site lattices. This method effectively predicts epitaxial relationships in MAX phase thin films grown on MgO(111) and Al2⁢O3(001), as well as prospective rutile, muscovite, MgAl2⁢O4 and SrTiO3 substrates, highlighting the chemical affinities and atomic configurations at their interfaces. Novel epitaxial relationships for Mn₂GaC MAX phase are identified, offering alternatives to the traditional (001) out-of-plane orientation and exploring variations in epitaxial lattice stress. Additionally, this study examines the temperature dependence of interface strain for the most promising orientation relationship candidates, offering insights into the effect of substrate temperature on the growth of the MAX phase thin films.