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Mössbauer parameter...
Mössbauer parameters of Fe-related defects in group-IV semiconductors : First principles calculations
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- Wright, E. (författare)
- Department of Physics and I3N, University of Aveiro, Campus Santiago
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- Coutinho, José A. (författare)
- Department of Physics, I3N, University of Aveiro, Campus Santiago, Department of Physics
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- Öberg, Sven (författare)
- Luleå tekniska universitet,Materialvetenskap
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- Torres, Vitor J. B. (författare)
- Department of Physics, University of Aveiro, Department of Physics and I3N, University of Aveiro, Campus Santiago
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(creator_code:org_t)
- AIP Publishing, 2016
- 2016
- Engelska.
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Ingår i: Journal of Applied Physics. - : AIP Publishing. - 0021-8979 .- 1089-7550. ; 119:18
- Relaterad länk:
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http://arxiv.org/pdf...
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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
- We employ a combination of pseudopotential and all-electron density functional calculations, to relate the structure of defects in supercells to the isomer shifts and quadrupole splittings observed in Mossbauer spectroscopy experiments. The methodology is comprehensively reviewed and applied to the technologically relevant case of iron-related defects in silicon, and to other group-IV hosts to a lesser degree. Investigated defects include interstitial and substitutional iron, iron-boron pairs, iron-vacancy, and iron-divacancy. We find that, in general, agreement between the calculations and Mossbauer data is within a 10% error bar. Nonetheless, we show that the methodology can be used to make accurate assignments, including to separate peaks of similar defects in slightly different environments.
Ämnesord
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
Nyckelord
- Applied Physics
- Tillämpad fysik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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