Abstract
The density-functional theory is applied to calculate the interface barrier height between two metals as a function of the metal separation. Image-force effects are considered, since a nonlocal exchange-correlation energy functional is used. It is shown that the inclusion of nonlocality in the description of the exchange-correlation potential is important for a correct description of the barrier height, which turns out to be considerably lowered for metal-metal separations greater than a few angstroms.
- Received 31 July 1986
DOI:https://doi.org/10.1103/PhysRevB.35.848
©1987 American Physical Society

