THEORY OF GOLD-HYDROGEN COMPLEXES IN SILICON

A Resende¹, J Goss¹, P R Briddon², S Öberg³ and R Jones¹

¹Department of Physics, The University of Exeter, Exeter, EX4 4QL, United Kingdom
²Department of Physics, The University of Newcastle upon Tyne, Newcastle upon Tyne, NE1 7RU, United Kingdom
³Department of Mathematics, University of Lulea, Lulea, S-97187, Sweden

Abstract:

Spin-polarised local density functional cluster calculations are carried out on substitutional Au and Au-H complexes in Si. Slater's transition argument and Janak's theorem are combined to discuss the donor-acceptor levels of the defects and the results are compared with experiment. The calculations give a good account of the donor/acceptor levels of Au and the Au-H pair. They confirm that the G1, G2 and G4 levels are due to Au-H. Au-H is found to be an electrically inactive defect and may be identified with the passive defect found experimentally.

• Introduction
• Background experimental results
• Method
• The substitutional Au centre
• Au-H
• Acknowledgements
• References
• About this document ...