Abstract
We present a structural and density-functional theory study of the interface of the quasi-twin-free grown three-dimensional topological insulator on Ge(111). Aberration-corrected scanning transmission electron microscopy and electron energy-loss spectroscopy in combination with first-principles calculations show that the weak van der Waals adhesion between the quintuple layer and Ge can be overcome by forming an additional Te layer at their interface. The first-principles calculations of the formation energy of the additional Te layer show it to be energetically favorable as a result of the strong hybridization between the Te and Ge.
- Received 7 September 2020
- Accepted 28 January 2021
DOI:https://doi.org/10.1103/PhysRevMaterials.5.024203
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