Effect of external electric field on the surface energetics of Ag/Si(111)

Abstract

Based on first-principles calculations, we found that the surface adsorption energetics of Ag on a Si(111) surface can be modified by imposing an external electric field. The preferred adsorption site is found to be field dependent. The most energetically favorable adsorption site of Ag on the Si(111) surface, among all the considered sites (hcp, fcc, bridge, and top), will undergo a transformation from the fcc site to the top site with an increase in field strength when the surface is positively biased. ©2005 The American Physical Society.