MD simulations of GaN sputtering by Ar+ ions: Ion-induced damage and near-surface modification under continuous bombardment

Abstract

Results from molecular dynamics simulations of continuous 50–200 eV Ar+ bombardment on wurtzite and zinc blende GaN surfaces are reported. A new analytical bond-order potential, originally developed for growth process studies, is used to investigate the low-energy physical sputtering of GaN compounds. Preferential sputtering of N atoms is initially observed up to 3.5×1015 ions/cm2 fluence, after which the layers reach steady state sputtering. The crystalline structure of the GaN sample does not have a major influence on the sputtering yield due to the rapid amorphization of the top surface after a few hundred impacts. Concentration depth profiles indicate a surface enrichment in gallium with a N/Ga concentration ratio equal to 0.59±0.1 for 100 eV bombardment, in agreement with published experimental studies. For the same conditions, Ga, N, and GaN species represent 25, 60, and 7% of the sputtered products. A significant fraction of those products leave the surface with kinetic energies sufficiently high to damage the passivation layers on sidewalls during etching processes dominated by physical bombardment.