Prefer a chat interface with context about you and your work?
Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)
The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wave functions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. …