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.
Image force effects in the barrier height for metal-metal tunneling electrons / Ossicini, Stefano; Bertoni, Carlo Maria. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - STAMPA. - 35:(1987), pp. 848-850.
Image force effects in the barrier height for metal-metal tunneling electrons
OSSICINI, Stefano;BERTONI, Carlo Maria
1987
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.
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