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Local vibrations on...
Local vibrations on hydrogen dimers in dilute SiGe crystalline solutions
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- Coutinho, J. (författare)
- Department of Physics, University of Aveiro, Campus Santiago
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- Torres, V.J.B. (författare)
- Department of Physics, University of Aveiro, Campus Santiago
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- Pereira, R.N. (författare)
- Institut for Fysik og Astronomi, Århus Universitet
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- Jones, R. (författare)
- School of Physics, University of Exeter
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- Öberg, Sven (författare)
- Luleå tekniska universitet,Matematiska vetenskaper
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- Briddon, P.R. (författare)
- School of Natural Science, University of Newcastle upon Tyne
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(creator_code:org_t)
- Elsevier BV, 2005
- 2005
- Engelska.
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Ingår i: Materials Science & Engineering. - : Elsevier BV. - 0921-5107 .- 1873-4944. ; 124/125:Suppl., s. 363-367
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Atomic hydrogen is a concomitant impurity in semiconductors. Its presence in Si, Ge and SiGe alloys has been established by means of paramagnetic resonance, optical, electrical and theoretical modeling studies. Hydrogen self-trapping is known to occur in Si and Ge, resulting in the formation of molecular hydrogen and H2* interstitial dimers. Here we report on the properties of H22* complexes in dilute SiGe alloys, by using an ab initio density functional method. It is found that these complexes form preferentially within Si-rich regions. H2* dimers in Si-rich alloys show vibrational properties similar to those in pure Si. On the other hand, in Ge-rich material the minority Si atoms act as nucleation sites, with the consequent formation of at least one preferential H2*- Si defect variant, showing a distinct vibrational activity.
Ämnesord
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Nyckelord
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
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