Ge-GaN deposition: An assistant kMC model
| Autor: | Matías Abel Oscar Quiroga, Romualdo Alejandro Ferreyra |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Arrhenius equation
Work (thermodynamics) Materials science General Physics and Astronomy 02 engineering and technology Surfaces and Interfaces General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Computational physics Collision theory Condensed Matter::Materials Science symbols.namesake Desorption symbols Deposition (phase transition) Kinetic Monte Carlo Diffusion (business) 0210 nano-technology Monte Carlo algorithm |
| Zdroj: | Applied Surface Science. 546:149132 |
| ISSN: | 0169-4332 |
| DOI: | 10.1016/j.apsusc.2021.149132 |
| Popis: | The present work provides a parametric simulation tool to assist the experimental deposition of GaN and Ge-GaN material. For this purpose, a kinetic Monte Carlo (kMC) model was developed and implemented to simulate the deposition, diffusion, and desorption of Ge, Ga, and N and subsequent material growth on GaN (0001). The kMC is a Monte Carlo algorithm that simulates the dynamics of a given on-the-lattice system by computing on-the-fly every event rate. In the present model, the deposition rates were computed by means of the collision theory and the diffusion and desorption rates were calculated with the usual Arrhenius form based on knowledge of the activation energies and the local energy configuration. Ge diffusion energies as well as experimental deposition conditions were simulated to investigate their impact on the resulting Ge-GaN layers. Proposed kMC model outcomes, which are consistent with the observed experimental results, are discussed in detail and conclusions are provided. |
| Databáze: | OpenAIRE |
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