Overlap effects on surface states
Davison, S. G.Sulston, Kenneth W.
Progress in Surface Science
Mathematical and Computational Sciences
A tight-binding investigation is performed of the electronic structure of a semi-infinite monatomic chain, whose atomic orbitals are assumed to be non-orthogonal, so that the effects of overlap can be taken into account. In addition to markedly modifying the bulk band-edges, the presence of overlap also greatly influences the position and existence of the surface states. These latter effects are examined in detail. (C) 2003 Elsevier Ltd. All rights reserved.