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Gas-phase reaction mechanism of p-type doping in group III nitrides growth: auxiliary decomposition effect of H radicals on Cp2Mg

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Abstract

In this study, the reaction mechanism of p-type dopant Cp2Mg in the gas phase of MOCVD was proposed and analyzed by quantum chemical calculations in accordance with density functional theory. The possibility of each reaction proceeding at various temperatures was determined, respectively. It was reported that Cp2Mg primarily displayed two competing paths of addition and hydrogenolysis. For adduct reaction path, complex Cp2Mg:NH3 or Cp2Mg:(NH3)2 would be formed in the temperature range below 420 K. For the hydrogenolysis pathway, the H radical in the gas phase was a “double-edged sword.” On the one hand, H radical exerted a positive auxiliary effect on Cp2Mg decomposition, significantly lowering the decomposition temperature of Cp2Mg. On the other hand, H radical reacted with Mg to form Mg–H gas-phase complex, passivating Mg and hindering the effect of p-type doping.

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References

  1. Safvi SA, Redwing JM, Tischler MA, Kuech TF (1997) J Electrochem Soc 144(5):1789

    Article  CAS  Google Scholar 

  2. Creighton JR, Breiland WG, Coltrin ME, Pawlowski RP (2002) Appl Phys Lett 81(14):2626

    Article  CAS  Google Scholar 

  3. Creighton JR, Wang GT, Breiland WG, Coltrin ME (2004) J Cryst Growth 261(2–3):204

    Article  CAS  Google Scholar 

  4. Lundin WV, Nikolaev AE, Rozhavskaya MM, Zavarin EE, Sakharov AV, Troshkov SI, Yagovkina MA, Tsatsulnikov AF (2013) J Cryst Growth 370:7–11

    Article  CAS  Google Scholar 

  5. Zhao DG, Liu ZS, Zhu JJ, Zhang SM, Jiang DS, Yang H, Liang JW, Li XY, Gong HM (2006) Appl Surf Sci 253(5):2452

    Article  CAS  Google Scholar 

  6. Cherns D, Sahonta SL, Liu R, Ponce FA, Amano H, Akasaki I (2004) Appl Phys Lett 85(21):4923

    Article  CAS  Google Scholar 

  7. Detchprohm T, Sano S, Mochizuki S, Kamiyama S, Amano H, Akasaki I (2001) Phys Status Solidi A 188(2):799

    Article  CAS  Google Scholar 

  8. Keller S, DenBaars SP (2003) J Cryst Growth 248:479–486

    Article  CAS  Google Scholar 

  9. Li D, Jiang K, Sun X, Guo C (2018) Adv Opt Photonics 10(1):43

    Article  CAS  Google Scholar 

  10. Nam KB, Nakarmi ML, Li J, Lin JY, Jiang HX (2003) Appl Phys Lett 83(5):878

    Article  CAS  Google Scholar 

  11. Nakamura S, Iwasa N, Senoh M, Mukai T (1992) Jpn J Appl Phys 31(Part 1, No. 5A):1258

    Article  CAS  Google Scholar 

  12. Götz W, Johnson NM, Walker J, Bour DP, Street RA (1996) Appl Phys Lett 68(5):667

    Article  Google Scholar 

  13. Wen T, Lee S, Lee W, Chen T, Chan S, Tsang J (2001) Jpn J Appl Phys 40(Part 2, No. 5B):L495

    Article  CAS  Google Scholar 

  14. Götz W, Johnson NM, Walker J, Bour DP, Amano H, Akasaki I (1995) Appl Phys Lett 67(18):2666

    Article  Google Scholar 

  15. Hull BA, Mohney SE, Venugopalan HS, Ramer JC (2000) Appl Phys Lett 76(16):2271

    Article  CAS  Google Scholar 

  16. Clerjaud B, Cte D, Lebkiri A, Naud C, Baranowski JM, Pakula K, Wasik D, Suski T (2000) Phys Rev B 61(12):8238

    Article  CAS  Google Scholar 

  17. Götz W, Johnson NM, Bour DP, McCluskey MD, Haller EE (1996) Appl Phys Lett 69(24):3725

    Article  Google Scholar 

  18. Sheu JK, Chi GC (2002) J Phys Condens Mat 14(22):R657

    Article  CAS  Google Scholar 

  19. Matlock DM, Zvanut ME, Wang H, Dimaio JR, Davis RF, van Nostrand JE, Henry RL, Koleske D, Wickenden A (2005) J Electron Mater 34(1):34

    Article  CAS  Google Scholar 

  20. Zvanut ME, Matlock DM, Henry RL, Koleske D, Wickenden A (2004) J Appl Phys 95(4):1884

    Article  CAS  Google Scholar 

  21. Amano H, Kito M, Hiramatsu K, Akasaki I (1989) Jpn J Appl Phys 28(12):L2112

    Article  CAS  Google Scholar 

  22. Nakamura S, Mukai T, Senoh M, Wasa N (1992) Jpn J Appl Phys 31(2B):L139

    Article  CAS  Google Scholar 

  23. Tokunaga H, Ubukata A, Yano Y, Yamaguchi A, Akutsu N, Yamasaki T, Matsumoto K (2004) J Cryst Growth 272(1–4):348

    Article  CAS  Google Scholar 

  24. Zvanut ME, Sunay UR, Dashdorj J, Willoughby WR, Allerman AA (2012) Mg-hydrogen interaction in AlGaN alloys. In: Conference on Gallium Nitride Materials and Devices VII, Vol. 8262, SPIE, San Francisco, CA, p 82620L

  25. Neugebauer J, Van de Walle CG (1995) Phys Rev Lett 75(24):4452

    Article  CAS  PubMed  Google Scholar 

  26. Yuan C (1995) J Vac Sci Technol B 13(5):2075

    Article  CAS  Google Scholar 

  27. Pearton SJ, Lee JW, Yuan C (1996) Appl Phys Lett 68(19):2690

    Article  CAS  Google Scholar 

  28. Wang GT, Creighton JR (2004) J Phys Chem A 108(22):4873

    Article  CAS  Google Scholar 

  29. Moscatelli D, Cavallotti C (2007) J Phys Chem A 111(21):4620

    Article  CAS  PubMed  Google Scholar 

  30. Yoshida M, Watanabe H, Uesugi F (1997) J Electrochem Soc 144(9):3117

    Article  Google Scholar 

  31. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam NJ, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts RE, Stratmann O, Yazyev AJ, Austin R, Cammi C, Pomelli JW, Ochterski R, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09. Gaussian, Inc, Wallingford

    Google Scholar 

  32. Lee C, Yang W, ParrC RG (1988) Phys Rev B Condens Matter 37(2):785

    Article  CAS  PubMed  Google Scholar 

  33. Hurtado, M., Lamsabhi, A., Mó, O., Yáñez, M., Guillemin, J. (2010) Dalton transactions (Cambridge, England: 2003) 39(19): 4593

  34. Becke AD (1993) J Phys Chem 98(7):5648

    Article  CAS  Google Scholar 

  35. Simka HS (1998) Application of Quantum Chemistry Calculations in Modeling Chemical Vapor Deposition Processes, Thesis. Ph.D, MIT

  36. Haaland A, Lusztyk J, Brunvoll J, Starowieyski KB (1975) J Organomet Chem 85(3):279

    Article  CAS  Google Scholar 

  37. Andersen RA, Boncella JM, Burns CJ, Blom R, Haaland A, Volden HV (1986) J Organomet Chem 312(3):C49

    Article  CAS  Google Scholar 

  38. Blom R, Faegri K, Volden HV (1990) Organometallics 9(2):372

    Article  CAS  Google Scholar 

  39. Bünder W, Weiss E (1975) J Organomet Chem 92(1):65

    Article  Google Scholar 

  40. Faegri K Jr., Almlöf J, Lüth HP (1983) J Organomet Chem 249(2):303

    Article  CAS  Google Scholar 

  41. Xie Y, Schaefer HFS III, Jemmis ED (2005) Chem Phys Lett 402(4–6):414

    Article  CAS  Google Scholar 

Download references

Acknowledgement

This work was supported by the National Natural Science Foundation of China (Grant No. 61474058) and Graduate Research and Innovation Projects of Jiangsu Province (Grant No. KYCX18_2244).

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Authors and Affiliations

  1. School of Energy and Power Engineering, Jiangsu University, Zhenjiang, 212013, China

    Liu Tang & Hong Zhang

  2. School of Energy and Environment, Anhui University of Technology, Ma’anshan, 243002, China

    Yinmei Yuan

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  1. Liu Tang
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  2. Hong Zhang
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Correspondence to Hong Zhang.

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Tang, L., Zhang, H. & Yuan, Y. Gas-phase reaction mechanism of p-type doping in group III nitrides growth: auxiliary decomposition effect of H radicals on Cp2Mg. Theor Chem Acc 139, 82 (2020). https://doi.org/10.1007/s00214-020-2583-2

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