Genre
- Journal Article
The introduction of non-orthogonal atomic orbitals, into the tight-binding approximation, gives rise to the existence of overlap terms in electronic band-structure calculations. In contrast to the zero-overlap situation, it is helpful to employ a tensorial Green-function approach to access the surface density of states, and investigate the effects of overlap on its behaviour. (C) 2003 Elsevier B.V. All rights reserved.
Univ Prince Edward Isl, Dept Math & Stat, PEI, Charlottetown, PE C1A 4P3, Canada. Univ Waterloo, Dept Appl Math, Waterloo, ON N2L 3G1, Canada. Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada. Guelph Waterloo Phys Inst, Guelph, ON, Canada.(TRUNCATED)
AMSTERDAM; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
ELSEVIER SCIENCE BV
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Source type: Electronic(1)
Language
- English
Subjects
- electronic structure
- OVERLAP
- Green functions
- non-orthogonal orbitals
- Physics, Condensed Matter
- SEMICONDUCTORS
- ELECTRONIC-STRUCTURE
- surfaces
- QUANTIZATION
- tight-binding method