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Structure of GaN(0001): The laterally contracted Ga bilayer model
Physical Review B (Condensed Matter)
We discuss the energetics and structure of a laterally contracted Ga bilayer model for the Ga-rich pseudo-1ϫ1 phase of the GaN͑0001͒ surface. First-principles total energy calculations reveal that a laterally contracted overlayer of Ga atoms bonded to a 1ϫ1 Ga adlayer is energetically favorable in the Ga-rich limit. The calculations also show that the energy of this surface structure is very insensitive to the lateral position of the contracted layer with respect to the underlying Ga layer. Thedoi:10.1103/physrevb.61.9932 fatcat:fbeozgxuongjtcad7kwclmuvte