Abstract
We review approaches to determining the electronic structure and orbital level alignment at nanoscale interfaces. Errors introduced by common exchange–correlation functionals used in Kohn–Sham density functional theory are discussed. We discuss level alignment results based on many-body perturbation theory within the GW approximation, and highlight the technical challenges and solutions faced when applying this approach to nanoscale interfaces.
Acknowledgements
We thankfully acknowledge our various co-authors and collaborators over the years that have aided greatly in our understanding of electronic structure at interfaces.
Notes
No potential conflict of interest was reported by the author.