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Overlap effects on surface states |
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| Authors: | S. G. Davison K. W. Sulston |
| Affiliation: | a Departments of Applied Mathematics and Physics and Guelph-Waterloo Physics Institute, University of Waterloo, Waterloo, Ont., Canada N2L 3G1 b Department of Mathematics and Computer Science, University of Prince Edward Island, Charlottetown, PEI, Canada C1A 4P3 |
| Abstract: | 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. |
| Keywords: | Orbital non-orthogonality (overlap) Surface states Tight-binding approximation Electronic structure |
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