Genre
- Journal Article
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.
Univ Waterloo, Dept Appl Math, Waterloo, ON N2L 3G1, Canada. Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada. Univ Waterloo, Guelph Waterloo Phys Inst, Waterloo, ON N2L 3G1, Canada. Univ Prince Edward Isl, Dept Math & Comp Sci, Charlottet(TRUNCATED)
OXFORD; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
PERGAMON-ELSEVIER SCIENCE LTD
PT: J; CR: DAVISON SG, 1992, BASIC THEORY SURFACE DAVISON SG, 2002, ACTA PHYS CLIM DEBRE, V34, P189 GILBERT TL, 1962, J MATH PHYS, V3, P107 GRIMLEY TB, 1960, ADV CATAL, V12, P1 HEINRICHS J, 2000, J PHYS-CONDENS MAT, V12, P5565 LOWDIN PO, 1950, J CHEM PHYS, V18, P365 LOWDIN PO, 1951, J CHEM PHYS, V19, P1579 MCKINNON BA, 1995, PHYS REV B, V52, P14531 MIRABELLA DA, 1994, AM J PHYS, V62, P162 MIRABELLA DA, 1998, INT J QUANTUM CHEM, V68, P285 SLATER JC, 1930, PHYS REV, V35, P509; NR: 11; TC: 0; J9: PROG SURF SCI; PG: 8; GA: 756AC
Source type: Electronic(1)
Language
- English
Subjects
- electronic structure
- orbital non-orthogonality (overlap)
- tight-binding approximation
- Chemistry, Physical
- Physics, Condensed Matter
- NONORTHOGONALITY
- surface states