The role of quantum confinement in the formation of Schottky barriers in Pb–Si interfaces

Autor: James R. Chelikowsky, Cai-Zhuang Wang, Shengbai Zhang, Tzu-Liang Chan, Jaime Souto-Casares, Kai-Ming Ho
Rok vydání: 2015
Předmět:
Zdroj: Solid State Communications. 217:43-46
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2015.05.014
Popis: Schottky barriers form when semiconductors are in contact with metal overlayers establishing a common Fermi level. Few theoretical studies of these materials exist as electronic structure calculations are computationally intensive for mismatched interfaces. We explicitly model a Pb(111) film on a Si(111) substrate. For thick Pb overlayers, we find a bulk regime where the Fermi level is pinned. For thin film regimes (less than five overlayers), structural relaxations dominate the interfacial energy as charge transfer is suppressed by quantum confinement. In this case, the Schottky barrier height follows the trend of the metal work function.
Databáze: OpenAIRE