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Appl. Phys. Lett. 79, 2339 (2001); http://dx.doi.org/10.1063/1.1408275 (3 pages)
Nitrogen pairs, triplets, and clusters in GaAs and GaP
(Received 10 May 2001; accepted 31 July 2001)
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Add to FacebookThe electronic and atomic structure of substitutional nitrogen pairs, triplets, and clusters in GaP and GaAs is studied using the multiband empirical pseudopotential method with atomistically relaxed supercells. A single nitrogen impurity creates a localized a1(N) gap state in GaP, but in GaAs, the state is resonant above the conduction-band minimum. We show how the interaction of multiple a1 impurity levels, for more than one nitrogen, results in a nonmonotonic relationship between energy level and impurity separation. We assign the lowest (NN1) line in GaP to a [2,2,0] oriented pair, the second (NN2) line to a triplet of nitrogen atoms, and identify the origin of a deeper observed level as an [1,1,0] oriented triplet. We also demonstrate that small nitrogen clusters readily create very deep levels in both GaP and GaAs. © 2001 American Institute of Physics.
© 2001 American Institute of Physics
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