We 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.Comment: 13 pages, 5 figure
