Modeling of the Epitaxy of III-Nitrides

For modeling of the epitaxy of III-Nitrides, STR offers VR™ Nitride Edition software that is recommended for quick generation and analysis of trends in 2D approximation and CVDSim3D for detailed 3D modeling of reactors and recipe fine-tuning.

VR™ Nitride Edition is suitable for the modeling of the following reactor types:

  • Planetary reactors
  • High-speed rotation Turbodisc reactors
  • Horizontal reactors
  • Close-coupled showerhead reactors
  • Home-made reactors that can be simulated within a 2D plane or axisymmetric model

For reactors with essentially 3D configurations, chemical model can be used as an add on for some multiphysics software packages.

Software includes the following readily available chemical models:

  • GaN growth from TMGa and NH3
    • Unintentional GaN doping by Carbon
    • GaN doping by Carbon using CH4
    • GaN doping by Si using SiH4
    • GaN doping by Mg using MgCp2
  • AlN growth from TMAl and NH3
  • AlGaN growth from TMAl, TMGa, and NH3
    • Unintentional AlGaN doping by Carbon
  • InGaN growth
    • from TMGa, TMIn, and NH3
    • from TEGa, TMIn, and NH3
  • AlInN growth from TMAl, TMIn, and NH3

For different precursors, please ask us directly. The software is constantly developing and some models can already be available or might be added.

Starting with version 2025.2, VR NE capabilities include enhanced tools for defining process parameters in widely used planetary reactors, making the recipe specification more intuitive and fault-tolerant, called presets for planetary reactors. This option provides a convenient way to define process recipes and minimize possible setup errors. Presets are available for both triple- and penta-injector planetary reactors, enabling convenient recipe modification and efficient parametric studies.

Also, the model of point defects for carbon-doped GaN has been introduced to address the influence of MOCVD process recipe on the electrical properties of GaN layer. This new feature allows the users to analyze the impact of process conditions on the wafer-scale distributions of point defects and impurity concentrations. The model accounts for carbon-related defects and nitrogen vacancies in various charge states, as well as their distributions across Ga and N lattice sites.

Modeling of the epitaxy in the planetary reactor with CVDSim3D software.

 

Example of the use of chemical model: Effect of process conditions on AlN growth rate and source efficiency in Veeco PropelTM MOCVD single wafer reactor … ,  based on advanced CFD and chemistry modeling. B. Mitrovic et al., CS Mantech 2017