mattila-prb-54-1474

Data for reference mattila-prb-54-1474

Large atomic displacements associated with the nitrogen antisite in GaN

T Mattila , AP Seitsonen , RM Nieminen

Physical Review B 54(3), 1474 (1996).

We present results of an extensive theoretical study of the nitrogen antisite in GaN. The neutral antisite in c-GaN is reported to exhibit metastable behavior similar to the arsenic antisite in GaAs. The feature of interest is the existence of the negative charge states of the nitrogen antisite. Their stability is a consequence of the large band gap. The nitrogen antisite undergoes in the negative charge states a large spontaneous Jahn-Teller displacement in the [111] direction, both in the cubic and in the wurtzite phase. The connection between the nitrogen antisite and the yellow luminescence commonly observed in GaN is discussed. Keywords: Number: 7. GALLIUM NITRIDES; NITROGEN; METASTABLE STATES; ENERGY GAP; JAHN-TELLER EFFECT; LUMINESCENCE; CHARGE STATES

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

Theoretical study of point defects in GaN and AlN; lattice relaxations and pressure effects

Contributed by A.E. Nikolaev from www-proxy.ioffe.rssi.ru. on Friday, December 13, 1996 2:35:34 PM

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