Theoretical investigation of extended defects in group-III nitrides

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The authors have investigated two types of extended defects commonly found in AlN, GaN and InN films using density-functional techniques. First, basal-plane stacking faults have been studied for all three compounds. Stacking-fault energies were found to be largest in AlN and smallest in GaN consistent with density-functional results for their wurtzite/zinc-blende energy differences. In addition, the 4H and 6H structures were found to have lower energies than zinc blende for all three compounds. Secondly, the authors have investigated the electronic structure and formation energy for an edge dislocation in AlN. The full-core dislocation structure was found to have a filled ... continued below

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9 p.

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Wright, A. F. December 1, 1997.

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  • Wright, A. F. Sandia National Labs., Albuquerque, NM (United States). Semiconductor Material and Device Sciences Dept.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM (United States)
    Place of Publication: Albuquerque, New Mexico

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Description

The authors have investigated two types of extended defects commonly found in AlN, GaN and InN films using density-functional techniques. First, basal-plane stacking faults have been studied for all three compounds. Stacking-fault energies were found to be largest in AlN and smallest in GaN consistent with density-functional results for their wurtzite/zinc-blende energy differences. In addition, the 4H and 6H structures were found to have lower energies than zinc blende for all three compounds. Secondly, the authors have investigated the electronic structure and formation energy for an edge dislocation in AlN. The full-core dislocation structure was found to have a filled electronic level approximately 0.55 eV above the valence-band edge and an empty level 1.4 eV below the conduction-band edge. An open-core structure was found to have filled and empty electronic levels closer to the middle of the energy gap. Formation energies for these two geometries suggest that the full-core structure would be expected to form in p-type material whereas both are expected in n-type material.

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9 p.

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OSTI as DE98001702

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  • 1997 fall meeting of the Materials Research Society, Boston, MA (United States), 1-5 Dec 1997

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  • Other: DE98001702
  • Report No.: SAND--97-3142C
  • Report No.: CONF-971201--
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 563177
  • Archival Resource Key: ark:/67531/metadc690062

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  • December 1, 1997

Added to The UNT Digital Library

  • Aug. 14, 2015, 8:43 a.m.

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  • May 20, 2016, 1:56 p.m.

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Wright, A. F. Theoretical investigation of extended defects in group-III nitrides, article, December 1, 1997; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc690062/: accessed December 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.