Atomic-Scale Phase Transition of Epitaxial GaN on Nanostructured Si(001): Activation and Beyond

An atomic-scale phase transition in heterophase epitaxy (HPE) of GaN on a 900 nm-wide v-grooved Si(001) substrate is reported. Two different incorporation mechanisms of adatoms sequentially occur for the hexagonal (h-) to cubic (c-) phase transition: orientation- and phase-dependent incorporation (ODI and PDI). Epitaxy begins with ODI that results in preferential growth of h-GaN individually aligned to opposing Si(111) facets inside a v-groove but incurs a structural instability by crystallographic mismatch at the groove bottom. This instability is relieved by an abrupt transition to c-phase, initiating from single or multiple atomic sites uniquely arranged atop the mismatch along the groove. Epitaxy proceeds with PDI that allows μm-scale c-GaN extended from these sites while suppressing growth of h-GaN. An important condition for HPE and the stability of c-GaN in further growth is derived from equilibrium crystal shape.