Data for reference neugebauer-prb-50-8067

Atomic geometry and electronic structure of native defects in GaN

Jorg Neugebauer, Chris G. Van de Walle

Physical Review B 50(11), 8067 (1994).

We have studied the electronic structure, atomic geometry, and formation energies of native defects in GaN using first- principles total-energy calculations. Our results reveal the vacancies to be the dominant defects in GaN, whereas antisites and interstitials are energetically less favorable. In p-type GaN the nitrogen vacancy (a donor) has the lowest formation energy, in n-type GaN the gallium vacancy (an acceptor). Our results show that the vacancies may be important for compensation. However, isolated point defects and particularly the nitrogen vacancy can be excluded as the source for the n-type conductivity in as-grown GaN, contrary to the generally accepted picture.

This item is cited by the following items in the database:

  1. Optical Detection of Electron Nuclear Double Resonance on the Residual Donor in GaN
  2. Recent Results in the Crystal Growth of GaN at High N2 Pressure
  3. High Resistivity AlxGa1-xN Layers Grown by MOCVD
  4. Theoretical study of point defects in GaN and AlN; lattice relaxations and pressure effects
  5. Optical properties of electron-irradiated GaN

Contributed by Chris G. Van de Walle from arachnophobia.parc.xerox.com. on Tuesday, March 5, 1996 2:21:00 PM
Modified by Andrei Nikolaev from shuttle.ioffe.rssi.ru

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