In recent years it has been proved possible to predict the valence-band offsets of lattice-matched semiconductor heterojunctions to an accuracy of about 0.1 eV using density functional theory in the local approximation (LDA). The authors investigate whether, for well-characterised metal-semiconductor interfaces, the Schottky-barrier heights can be calculated with similar accuracy.
 

Metallization and Metal-Semiconductor Interfaces. Proceedings of a NATO Advanced Research Workshop Editor(s): Batra, I.P. New York, NY, USA: Plenum, 1989. p.215-34 of xi+510 pp. 31 refs. Conference: Garching, West Germany, 22-26 Aug 1988 ISBN: 0-306-43159-9.