A comparative study of nonrelativistic and relativistic 5d atoms as impurities in silicon |
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| Authors: | JoséLuiz A. Alves Sven Larsson |
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| Affiliation: | 1. Instituto de Física. Universidade de São Paulo, CP 20516, São Paulo, Brasil;2. Chemical Center, University of Lund, P.O. Box 740, S-220 07 Lund, Sweden |
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| Abstract: | A comparison is made between calculations performed nonrelativistically and relativistically for W, Re, Os, Ir, Pt, Au and Hg as substitutional impurities in silicon. The calculations were carried out using the relativistic extended Hückel method. The direct and indirect relativistic effects upon the 5d-like levels and band-gap levels are analysed. |
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| Keywords: | electronic structure semiconductors silicon substitutional impurities deep levels relativistic effects |
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