Epitaxial films of bismuth telluride topological insulators have received increasing attention due to potential applications in spintronic and quantum computation. One of the most important properties of epitaxial films is the presence of interface defects due to lateral lattice mismatch since electrically active defects can drastically compromise device performance. By describing hybrid reflections in hexagonal bismuth telluride films on cubic substrates, in-plane lattice mismatches were characterized with accuracy at least 20 times better than using other X-ray diffraction methods, providing clear evidence of 0.007% lateral lattice mismatch, consistent with stress relaxation associated with van der Waals gaps in the film structure.

Potential applications in spintronics and quantum information processing have motivated much recent research in epitaxial films of bismuth telluride. This system is also an example of van der Waals (vdW) epitaxy, where the interface coherence between the film and substrate is based on vdW bonds instead of strong ionic or covalent bonds. Because of the weakness of the vdW bonds, the overall quality of the epitaxial films is difficult to control and structural defects are easily introduced with a significant impact on the electronic phase diagram of the epitaxial films. To elucidate the evolution of defects as a function of the growth parameters, we combine nondestructive methods for electrical and structural analysis, as well as to establish intercorrelations between structural features and density of free charge carriers. It clearly shows that point defects and twinned domains favor p-type of charge carriers. Passivation of points defects by formation of metallic bismuth bilayers (BLs) drastically changes the whole film properties. By replacing vdW bonds with weak covalent bonds, the presence of BLs increases the film stiffness, leading to a smaller lattice misfit and a larger lateral lattice coherence length. Charge carriers are flipped to n-type. A few percent of BLs can be a strategy to achieve films with enhanced performance for device applications.

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