Density-functional theory study of Au, Ag and Cu defects in germanium

A. Carvalho, J. Coutinho, R. Jones, E. Silva, S. Öberg, P.R. Briddon, Estelina Lora Da Silva

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Gold, silver and copper defects in germanium are modeled using density functional theory. The structures and electrical properties of the substitutional metals are calculated in excellent agreement with experiment. Interstitial Au, Ag and Cu are found to be shallow donors, in disagreement with a previous assignment of Cu to a hole trap in the lower half of the gap. Substitutional-interstitial metal (M - M) pairs and metal-vacancy pairs (M - V) are also investigated.
Original languageEnglish
Pages (from-to)340-343
Number of pages4
JournalMaterials Science in Semiconductor Processing
Volume11
Issue number5-6
DOIs
Publication statusPublished - Oct 2008

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Germanium
Density functional theory
germanium
Metals
density functional theory
Defects
defects
interstitials
metals
Hole traps
Silver
Gold
Vacancies
Copper
Electric properties
electrical properties
silver
traps
gold
copper

Cite this

Carvalho, A., Coutinho, J., Jones, R., Silva, E., Öberg, S., Briddon, P. R., & Da Silva, E. L. (2008). Density-functional theory study of Au, Ag and Cu defects in germanium. Materials Science in Semiconductor Processing, 11(5-6), 340-343. https://doi.org/10.1016/j.mssp.2008.10.007

Density-functional theory study of Au, Ag and Cu defects in germanium. / Carvalho, A.; Coutinho, J.; Jones, R.; Silva, E.; Öberg, S.; Briddon, P.R.; Da Silva, Estelina Lora.

In: Materials Science in Semiconductor Processing, Vol. 11, No. 5-6, 10.2008, p. 340-343.

Research output: Contribution to journalArticle

Carvalho, A, Coutinho, J, Jones, R, Silva, E, Öberg, S, Briddon, PR & Da Silva, EL 2008, 'Density-functional theory study of Au, Ag and Cu defects in germanium', Materials Science in Semiconductor Processing, vol. 11, no. 5-6, pp. 340-343. https://doi.org/10.1016/j.mssp.2008.10.007
Carvalho, A. ; Coutinho, J. ; Jones, R. ; Silva, E. ; Öberg, S. ; Briddon, P.R. ; Da Silva, Estelina Lora. / Density-functional theory study of Au, Ag and Cu defects in germanium. In: Materials Science in Semiconductor Processing. 2008 ; Vol. 11, No. 5-6. pp. 340-343.
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