Various reconstructions on the GaN(0001) surface are studied by scanning tu
nneling microscopy (STM). Based on the comparison between the STM observati
ons and first-principles total-energy calculations, we propose an adatom sc
heme for the basic 2 x 2 and 4 X 4 structures, and others as well. It is re
vealed that the 5 X 5 phase consists of a linear chain of unevenly displace
d Ga adatoms along the [<11(2)over bar 0>] direction due to lattice relaxat
ion. [S0031-9007(99)08862-6].