Modeling of HVPE of GaN, AlN and AlxGa1-xN with Virtual Reactor

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Modeling of HVPE of GaN, AlN and AlxGa1-xN with Virtual Reactor

  1. 1. Software for Modeling of Long-Term Growth of GaN, AlN and AlxGa1-xN Bulk Crystals and Epilayers by Hydride Vapor Phase Epitaxy HEpiGaNS™ Virtual Reactor edition for HVPE STR-Group Ltd www.str-soft.com 2009 Copyright © 2009 STR Group Ltd. All rights reserved
  2. 2. HEpiGaNs Physical Model Global Heat Transfer Heat transfer by conduction, convection, and radiation Anisotropy Radio Frequency and Resistive Heating Species Transport Convection Multi-component diffusion Advanced models of heterogeneous process Prediction of the growth rate profile and distribution of V/III ratio over the substrate Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  3. 3. HEpiGaNs Heat Transfer and Flow in the Reactor GaN deposition on the substrate Parasitic GaN deposition Gaseous species: NH3, GaCl, HCl, H2 Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  4. 4. HEpiGaNs Heat Transfer and Flow in the Reactor Flow pattern in the vicinity of the substrate Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  5. 5. HEpiGaNs GaN Configuration: Mass Transport Modeling Species Mass Fraction Distributions Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  6. 6. HEpiGaNs GaN Configuration: Mass Transport Modeling Species Mass Fraction Distributions Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  7. 7. HEpiGaNs GaN Configuration: Mass Transport Modeling 120 Growth rate and V/III ratio profiles along 100 the substrate radius V gr , µm/h 80 60 40 2000 20 V / III ratio 1500 0 0.02 0.03 0.04 0.05 0.06 r, m 1000 500 0.02 0.03 0.04 0.05 0.06 Substrate r, m Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  8. 8. HEpiGaNs Ga Source Modeling GaCl generation due to liquid Ga evaporation Liquid Ga evaporation HCl supply HCl consumption on the surface of liquid Ga Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  9. 9. HEpiGaNs AlGaN Configuration: Basic Assumptions Gaseous species: AlCl3, GaCl, AlCl, GaCl3, NH3, H2, HCl, N2 Supply of precursors: • AlClx and GaClx on the inlet • HCl on the inlet, boats with liquid Ga and solid Al inside the reactor Reactions on AlxGa1-xN surface: • AlCl3 (gas) + NH3 (gas) = AlN (solid) + 3HCl (gas) • AlCl (gas) + NH3 (gas) = AlN (solid) + HCl (gas) + H2 (gas) • GaCl (gas) + NH3 (gas) = GaN (solid) + HCl (gas) + H2 (gas) • GaCl3 (gas) + NH3 (gas) = GaN (solid) + 3HCl (gas) Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  10. 10. HEpiGaNs AlGaN Configuration: Basic Assumptions Reactions on Al source: • 2Al (solid) + 2HCl (gas) = 2AlCl (gas) + H2 (gas) • AlCl (gas) + 2HCl (gas) = AlCl3 (solid) + H2 (gas) Reactions on Ga source: • 2Ga (liquid) + 2HCl (gas) = 2GaCl (gas) + H2 (gas) • GaCl (gas) + 2HCl (gas) = GaCl3 (solid) + H2 (gas) Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  11. 11. HEpiGaNs AlGaN Configuration: Mass Transport Ga, 850 oC HCl + N2/H2 Growth conditions - HCl flow rates through Al and Ga NH3 + GaCl sources are varied to specify the Al N2/H2 HCl + N2/H2 content in AlxGa1-xN Al, 550 oC AlCl3 - Carrier gas is either pure N2 or 90%N2 + 10%H2 Sapphire substrate, 1100 oC Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  12. 12. HEpiGaNs AlGaN Configuration: Mass Transport Species Distribution in the Growth Chamber AlCl3 AlCl Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  13. 13. HEpiGaNs AlGaN Configuration: Mass Transport Species Distribution in the Growth Chamber GaCl GaCl Carrier is pure N2 Carrier is 90%N2 + 10%H2 Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  14. 14. HEpiGaNs Al Content in the Growing AlxGa1-xN layer 1 0.9 - Incorporation of Ga in AlGaN is sharply 0.8 hampered by carrier H2 due to slowing down the growth reaction 0.7 GaCl + NH3 -> GaN(s) + HCl + H2 0.6 x_Al 0.5 - Incorporation of Al in AlGaN is not 0.4 hampered by carrier H2 as it is not 0.3 Modeling, H 2 = 0 % involved in the growth reaction 0.2 Modeling, H 2 = 1 % AlCl3 + NH3 -> AlN(s) + 3HCl Modeling, H 2 = 10 % 0.1 0 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 R_Al Al content in the growing AlGaN layer (x_Al) as a function of Al content in the vapor (R_Al) at various concentration of H2 in carrier Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  15. 15. HEpiGaNs Al Content in the Growing AlxGa1-xN layer 1 1 0.98 0.9 H 2 = 10 % 0.96 0.8 x_Al x_Al 0.94 0.7 0.92 0.6 H 2 = 10 % 0.9 0.5 0 100 200 300 400 500 0 10000 20000 30000 40000 50000 Q(AlCl3) + Q(GaCl) Q(NH 3) Al content vs. group-III Al content vs. NH3 Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  16. 16. HEpiGaNs AlN Configuration: Validation 150 150 Comp., average Comp., average Comp., axis Comp., axis Exp. Exp. Growth Rate, µm/h Growth Rate, µm/h 100 100 50 50 Q(N2) = 100 sccm Q(N2) = 200 sccm Q(H 2) = 100 sccm Q(H 2) = 0 sccm 0 0 0 1 2 3 4 0 1 2 3 4 Q(NH 3), sccm Q(NH 3), sccm Growth in Pure N2 Growth in N2 + H2 B. Armas et al., Surf. Coat.Tec. 123 (2003) 199 Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  17. 17. HEpiGaNs AlN Configuration: Validation 300 Comp., average 250 Comp., axis Exp. Growth Rate, µm/h 200 150 100 Q(N2) = 100 sccm 50 Q(H 2) = 100 sccm 0 0 1 2 3 4 Q(AlCl3), sccm Growth in N2 + H2 B. Armas et al., Surf. Coat.Tec. 123 (2003) 199 Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  18. 18. HEpiGaNs AlGaN Configuration: Validation - Incorporation of Ga in AlGaN is sharply hampered by carrier H2 due to slowing down the growth reaction GaCl + NH3 -> GaN(s) + HCl + H2 - Incorporation of Al in AlGaN is not hampered by carrier H2 as it is not involved in the growth reaction AlCl3 + NH3 -> AlN(s) + 3HCl A. Koukitu et al, JCG 305 (2007) 335 Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  19. 19. HEpiGaNs Computational Mesh: 0.2 Quadrilateral (in Long Tubes) and Triangular (in the Growth Zone) 0.18 0.16 Long rectangular tubes: quadrilateral mesh with high (~10-20) aspect ratio Height, m 0.14 Growth domain with complex shape and with moving crystal and deposit 0.12 interfaces: triangular mesh 0.1 0.08 -0.06 -0.04 -0.02 0 0.02 0.04 0.06 Radius, m Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  20. 20. HEpiGaNS™ Evolution of Semi-Bulk GaN Crystal and GaN Polycrystalline Deposits in Long-Term Growth Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  21. 21. HEpiGaNs Schematic View of the Reactor GaN deposition on the substrate Parasitic GaN deposition Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  22. 22. HEpiGaNs Crystal Shape Evolution Start of the growth Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  23. 23. HEpiGaNs Crystal Shape Evolution t=5h Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  24. 24. HEpiGaNs Crystal Shape Evolution t = 10 h Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  25. 25. HEpiGaNs Thermal Stress Evolution in the Growing Crystal t=0 t=5h t = 10 h Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com
  26. 26. Conclusions HEpiGaNS™ is an effective tool for simulation of long-term bulk growth and epitaxy of GaN, AlN and AlxGa1-xN by HVPE Any questions regarding HEpiGaNS™ software tool can be sent via http://www.str-soft.com/contact/ General presentation demonstrating capabilities of the Virtual Reactor software package and presentations demonstrating other editions of Virtual Reactor family, such as • VR-PVT SiC™ • VR-PVT AlN™ • VR-CVD SiC™ are available upon request Copyright © 2009 STR Group Ltd. All rights reserved www.str-soft.com

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