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Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory

In English

Författare

  • P. Laukkanen
  • M. P. J. Punkkinen
  • J. Puustinen
  • H. Levamaki
  • M. Tuominen
  • Karina Schulte
  • J. Dahl
  • J. Lang
  • H. L. Zhang
  • M. Kuzmin
  • K. Palotas
  • B. Johansson
  • L. Vitos
  • M. Guina
  • K. Kokko
Visa allt

Summary, in English

Using first-principles total energy calculations we have found complex defects induced by N incorporation in GaAsN. The formation energy of the Ga interstitial atom is very significantly decreased due to local effects within the defect complex. The stability of the Ga interstitials is further increased at surfaces. The present results suggest that the energetically favorable Ga interstitial atoms are much more abundant in GaAsN than the previously considered N defects, which have relatively large formation energies. Our synchrotron radiation core-level photoemission measurements support the computational results. The formation of harmful Ga interstitials should be reduced by incorporating large group IV B atoms in GaAsN.

Publiceringsår

2012

Språk

Engelska

Publikation/Tidskrift/Serie

Physical Review B (Condensed Matter and Materials Physics)

Volym

86

Issue

19

Dokumenttyp

Artikel i tidskrift

Förlag

American Physical Society

Ämne

  • Physical Sciences
  • Natural Sciences

Aktiv

Published

ISBN/ISSN/Övrigt

  • ISSN: 1098-0121