Homoepitaxial GaN films, doped with Mg, were grown by rf-plasma molecular-b
eam epitaxy on Ga-polarity (0001) templates. Convergent-beam electron diffr
action analysis establishes that the film polarity changes from [0001] to [
000 (1) under bar] when the Mg flux during growth is approximately 1 ML/s.
Secondary ion mass spectrometry indicates a doping concentration of similar
to 10(20) cm(-3) in the film where the inversion occurs, and a reduced Mg
incorporation in the [000 (1) under bar] material. Transmission electron mi
croscopy shows that the inversion domain boundary is faceted predominantly
along the {0001} and {h,h,-2h,l} planes, with l/h approximately equal to 3.
Using first-principles total energy calculations, we show that the {h,h,-2
h,l} segments of the boundary are stabilized by the incorporation of Mg in
threefold coordinated lattice sites. (C) 2000 American Institute of Physics
. [S0003- 6951(00)03042-4].