Anab initio-based approach is used to investigate the facet stability of GaN during tri-halide vapor phase epitaxy (THVPE). First, surface reconstructions are analyzed to create surface phase diagrams as a function of the gaseous pressure and temperature. Next, a triangular wedge model is used to compute absolute surface formation energies with the bulk state as a reference. A Wulff construction is used to predict the crystal growth form composed of energetically preferred facets. The calculated results can be used to control the shape of GaN grown by THVPE.
|Number of pages||6|
|Publication status||Published - Feb 14 2021|
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics