Epitaxial interfaces between crystallographically mismatched materials

Phys Rev Lett. 2011 Jul 8;107(2):026102. doi: 10.1103/PhysRevLett.107.026102. Epub 2011 Jul 8.

Abstract

We report an unexpected mechanism by which an epitaxial interface can form between materials having strongly mismatched lattice constants. A simple model is proposed in which one material tilts out of the interface plane to create a coincidence-site lattice that balances two competing geometrical criteria--low residual strain and short coincidence-lattice period. We apply this model, along with complementary first-principles total-energy calculations, to the interface formed by molecular-beam epitaxy of cubic Fe on hexagonal GaN and find excellent agreement between theory and experiment.