Extrinsic levels, diffusion, and unusual incorporation mechanism of lithium in GaN

Details Extrinsic levels, diffusion, and unusual incorporation mechanism of lithium in GaN Extrinsic levels, diffusion, and unusual incorporation mechanism of lithium in GaN

1999-08-03

arxiv.org/abs/cond-mat/9908038v1

Physics

Condensed Matter

Materials Science

RevTeX 4 pages, embedded figures

Scientific paper

Results of a first-principles study of the Li impurity in GaN are presented. We find Li is a channel interstitial, with an onset for diffusion at T$\sim$ 600 K. Above this temperature, Li can transform to a Ga-substitutional acceptor by exothermic recombination with Ga vacancies. This process implies capture of at least one electron; therefore Li acts as an electron sink. Li$_{\rm Ga}$ is stable again interstitialcy, and has a shallow first ionization levels of 0.16 eV, and second ionization at 0.63 eV. Lattice locations and their temperature dependence are in close agreement with recent experiments.

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