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Trans Tech Publications, Solid State Phenomena, (108-109), p. 697-702, 2005

DOI: 10.4028/www.scientific.net/ssp.108-109.697

Trans Tech Publications, Solid State Phenomena, p. 697-702

DOI: 10.4028/3-908451-13-2.697

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Theoretical investigations of the energy levels of defects in germanium

Journal article published in 2005 by R. Jones, A. Carvalho, João A. P. Coutinho ORCID, Vitor J. B. Torres, Sven Öberg, Patrick R. Briddon
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The donor and acceptor levels of defects in Ge as well as in Si are found using a local density functional method applied to large H-terminated defective clusters. The surfaces of the clusters are modified so that their band gaps are aligned with experimental values. It is shown that the resulting energies of the first donor and acceptor levels are within about 0.2 eV of the experimental values.