A study of the electronic structure and Schottky barriers at reconstructed Sn/Si interfaces

• Published in: Applied surface science 1993-01, Vol.70 (1-4), p.433-437
• Main Authors: Anyele, H.T., Cafolla, A.A., Matthai, C.C.
• Format: Article
• Language: English
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Electron states and collective excitations in multilayers, quantum wells, mesoscopic, and nanoscale systems; Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Exact sciences and technology; Physics; Solid surfaces and solid-solid interfaces; Surface double layers, schottky barriers, and work functions; Surface structure and topography; Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)
• ISSN: 0169-4332; 1873-5584
• DOI: 10.1016/0169-4332(93)90555-P

Self-consistent electronic structure calculations have been performed on the Sn/Si(111) (√3 × √3) and (2√3 × 2√3) reconstructed surfaces and the Schottky barrier height deduced. The geometric structure of these surfaces was determined by molecular dynamics simulations with the interaction between atoms being described by a valence force field model. We find that the barrier height at the (√3 × √3) interface is lower than that at the (2√3 × 2√3) interface by 0.27 eV. This is in good agreement with experiment.