Novel Reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors

dc.creatorZywietz, T. K.
dc.creatorNeugebauer, J.
dc.creatorScheffler, M.
dc.creatorNorthrup, J. E.
dc.date1998-10-02
dc.date.accessioned2026-07-07T05:56:25Z
dc.date.available2026-07-07T05:56:25Z
dc.descriptionWe have studied the driving forces governing reconstructions on polar GaN surfaces employing first-principles total-energy calculations. Our results reveal properties not observed for other semiconductors, as for example a strong tendency to stabilize Ga-rich surfaces. This mechanism is shown to have important consequences on various surface properties: Novel and hitherto unexpected structures are stable, surfaces may become metallic although GaN is a wide-bandgap semiconductor, and the surface energy is significantly higher than for other semiconductors. We explain these features in terms of the small lattice constant of GaN and the unique bond strength of nitrogen molecules.
dc.description13 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/physics/9810003
dc.identifierhttp://arxiv.org/abs/physics/9810003
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/87603
dc.subjectComputational Physics
dc.titleNovel Reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors
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