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1996 | 90 | 4 | 793-796
Article title

Calculations of Native Defects in Cubic AlN

Content
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Languages of publication
EN
Abstracts
EN
We have studied the electronic structure of native defects in cubic AlN. N and Al vacancies, antisites and interstitials are investigated in different charge states. We have performed first-principles calculations based on density-functional theory, using two methods. The first one is the Green-function technique based on the linear muffin-tin orbital method in the atomic-spheres approximation. Defects considered are all ideal substantial ones, i.e., no relaxation of the neighboring atoms is allowed for in this method. The results for aluminium vacancy and for nitrogen antisite are compared to the calculations using supercell approach and the full-potential linear muffin-tin orbital (the second method) with lattice relaxation included.
Keywords
EN
Publisher

Year
Volume
90
Issue
4
Pages
793-796
Physical description
Dates
published
1996-10
Contributors
author
  • Institute of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark
author
  • Institute of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark
  • Institute of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark
References
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Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv90z430kz
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