ORIENTATION EFFECT IN ELECTRONIC-PROPERTIES OF SILICON WIRES

Electronic properties of (100), (110), and (111) oriented H-terminated silicon quantum-size wires have been calculated within the self-consi stent LCAO method. The quantum confinement induced direct band gap onl y appears in the (100) wires. Surface silicon d and p electrons are fo und to be responsible for the bottom of the conduction band while the top of the valence band are formed by p electrons of the core atoms. P ossible reconstruction of the wire surface is discussed. (C) 1995 Amer ican Institute of Physics.