Theoretical investigation of edge dislocations in AlN

Journal Article · Mon Jun 01 04:00:00 EDT 1998 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.121668· OSTI ID:636127

Wright, A F ^[1]; Furthmueller, J ^[2]

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1. Sandia National Laboratories, Albuquerque, New Mexico 87185-1415 (United States)
2. Institut fuer Festkoerpertheorie und Theoretische Optik, Friedrich-Schiller-Universitaet Jena, Max-Wien-Platz 1, D 07743 Jena (Germany)

The structures and formation energies of neutral and charged edge dislocations in AlN are investigated via density-functional-theory calculations. Stoichiometric structures having full and open cores are considered as well as nonstoichiometric structures having aluminum or nitrogen vacancies along the dislocation core. Formation energies are found to depend strongly on the Fermi level, due to the presence of defect levels in the band gap, and on growth conditions for the case of the nonstoichiometric structures. A structure having aluminum vacancies along the dislocation core is predicted to be most stable in n-type material grown under nitrogen-rich conditions, whereas a nitrogen-vacancy structure is most stable in p-type material grown under aluminum-rich conditions. Estimates are also given for defect energy levels in the gap. {copyright} {ital 1998 American Institute of Physics.}

• OSTI ID: 636127
• Journal Information: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 26 Vol. 72; ISSN 0003-6951; ISSN APPLAB
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALUMINIUM COMPOUNDS
ALUMINIUM NITRIDES
CRYSTAL DEFECTS
EDGE DISLOCATIONS
ENERGY GAP
FERMI LEVEL
STOICHIOMETRY
VACANCIES