Research on the Stability of Different Polar Surfaces in Aluminum Nitride Single Crystals

Abstract

Wurtzite aluminum nitride (AlN) crystal has a non-centrosymmetric crystal structure with only a single axis of symmetry. In an AlN crystal, the electronegativity difference between the Al atom and N atom leads to a distortion of electron cloud distribution outside the nucleus and a spontaneous polarization (SP) along the c-axis direction. The N-polar surface along the directions of [000-1] has higher surface energy than the Al-polar surface along the directions of [0001]. Due to the different atomic arrangement, Al atoms on the Al-polar surface bond with O and OH− in the environment to generate Al2O3·xH2O, which prevents the reaction from occurring inside the crystal. After the Al2O3·xH2O dissolve in an alkaline environment, N atoms have three dangling bonds exposed on the surface, which can also protect OH− from destroying the internal Al-N bonds, so the Al-polar surface is more stable than the N-polar surface.