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Schlagwörter:
Adlayers; Atomic scale; Bi-layer; Cleaved surfaces; First-principles calculation; Ga-rich conditions; GaN layers; Growth behaviour; Metallic structures; Morphological stability; Semipolar, Calculations; Gallium nitride; Semiconductor growth; Stoichiometry; Surfaces, Electronic properties, gallium; gallium nitride; metal; nitrogen, article; chemistry; conformation; electronics; genetic procedures; kinetics; methodology; physics; semiconductor; surface property; thermodynamics, Biosensing Techniques; Electronics; Gallium; Kinetics; Metals; Molecular Conformation; Nitrogen; Physics; Semiconductors; Surface Properties; Thermodynamics
Zusammenfassung:
First-principles calculations relating to the atomic structure and electronic properties of 101̄3 GaN surfaces reveal significant differentiations between the two polarity orientations. The (101̄3) surface exhibits a remarkable morphological stability, stabilizing a metallic structure (Ga adlayer) over the entire range of the Ga chemical potential. In contrast, the semiconducting, cleaved surface is favoured on (1013) under extremely and moderately N-rich conditions, a Ga bilayer is stabilized under corresponding Ga-rich conditions and various transitions between metallic reconstructions take place in intermediate growth stoichiometries. Efficient growth schemes for smooth, two-dimensional GaN layers and the isolation of f10N13g material from parasitic orientations are identified. © 2013 IOP Publishing Ltd.
