J. Semicond. > 2014, Volume 35 > Issue 11 > 116004
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SEMICONDUCTOR TECHNOLOGY

Kinetic process of nitridation on the α-sapphire surface

Xingzhou Tang1, 2, , Shuping Li1, 2, Junyong Kang1, 2 and Jiaqi Chen1

+ Author Affiliations

 Corresponding author: Tang Xingzhou, Email:tangxzchina@qq.com

DOI: 10.1088/1674-4926/35/11/116004

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Abstract: We established a model to simulate the growth process of nitridation and clarified the inner mechanisms of nitridation and over-nitridation by combining the kinetic Monte Carlo and molecular dynamics methods. Supported by reflection high-energy electron diffraction results with growth in an MBE system, the tendency of nitridation on α -sapphire in different conditions was observed and analyzed. The best conditions for nitridation on the α -sapphire surface are found by our simulation.

Key words: nitridation, kinetic Monte Carlo (KMC), molecular dynamics (MD), molecular beam epitaxy (MBE), reflection high-energy electron diffraction (RHEED)



[1]
Chen Z, Nweman S, Brown D, et al. High quality AlN growth on SiC by metal organic chemical vapor deposition. Appl Phys Lett, 2008, 93:191906 doi: 10.1063/1.2988323
[2]
Grandjean N, Massies J. Molecular beam epitaxy growth of nitride materials. Mater Sci Eng B, 1999, 59:39 doi: 10.1016/S0921-5107(98)00414-0
[3]
Mansurov V G, Nikitin A Y, Galitsyn Y G, et al. AlN growth on sapphire substrate by ammonia MBE. J Cryst Growth, 2007, 300:145 doi: 10.1016/j.jcrysgro.2006.11.006
[4]
Cho Y, Kim Y, Weber E R, et al. Chemical and structural transformation of sapphire (Al2O3) surface by plasma source nitridation. J Appl Phys, 1999, 85:7909 doi: 10.1063/1.370606
[5]
Namkoong G, Doolittle W A, Brown A S, et al. Role of sapphire nitridation temperature on GaN growth by plasma assisted molecular beam epitaxy. Part 1. Impact of the nitridation chemistry on material characteristics. J Appl Phys, 2002, 91:2499 doi: 10.1063/1.1435834
[6]
Losurdo M, Capezzuto P, Bruno G, et al. Role of sapphire nitridation temperature on GaN growth by plasma assisted molecular beam epitaxy. Part 2. Interplay between chemistry and structure of layers. J Appl Phys, 2002, 91:2508 doi: 10.1063/1.1435835
[7]
Saiton Y, Akiyama T, Nakamura K, et al. Ab initio-based approach to elemental nitridation process of α -Al2O3. J Cryst Growth, 2013, 362:29 doi: 10.1016/j.jcrysgro.2012.01.048
[8]
Akiyama T, Saito Y, Nakamura K, et al. Nitridation of Al2O3 surface:chemical and structural change triggered by oxygen desorption. Phys Rev Lett, 2013, 110:026101 doi: 10.1103/PhysRevLett.110.026101
Fig. 1.  (Color online) Surface of $\alpha $-sapphire

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Fig. 2.  (Color online) Nitridation in KMC simulation at the very beginning

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Fig. 3.  Simulation of a surface stage evolution image using KMC; each white dot represents an AlN molecule

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Fig. 4.  Simulation of the changes in the percentages of N atoms in different layers at 650 K using a combination of MD and KMC methods

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Fig. 5.  RHEED figures in different time periods

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Fig. 6.  Changes in the relation of lattice constant of samples versus time at 400, 650, and 800 K. The process of over-nitridation occurred at 650 K, but not at 400 K. The overall processes of nitridation and over-nitridation became faster and more severe at 800 K

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Table 1.   Energetic parameters of different surface sites in the KMC simulation

Table 2.   Energetic parameters of different structures in the MD method
[1]
Chen Z, Nweman S, Brown D, et al. High quality AlN growth on SiC by metal organic chemical vapor deposition. Appl Phys Lett, 2008, 93:191906 doi: 10.1063/1.2988323
[2]
Grandjean N, Massies J. Molecular beam epitaxy growth of nitride materials. Mater Sci Eng B, 1999, 59:39 doi: 10.1016/S0921-5107(98)00414-0
[3]
Mansurov V G, Nikitin A Y, Galitsyn Y G, et al. AlN growth on sapphire substrate by ammonia MBE. J Cryst Growth, 2007, 300:145 doi: 10.1016/j.jcrysgro.2006.11.006
[4]
Cho Y, Kim Y, Weber E R, et al. Chemical and structural transformation of sapphire (Al2O3) surface by plasma source nitridation. J Appl Phys, 1999, 85:7909 doi: 10.1063/1.370606
[5]
Namkoong G, Doolittle W A, Brown A S, et al. Role of sapphire nitridation temperature on GaN growth by plasma assisted molecular beam epitaxy. Part 1. Impact of the nitridation chemistry on material characteristics. J Appl Phys, 2002, 91:2499 doi: 10.1063/1.1435834
[6]
Losurdo M, Capezzuto P, Bruno G, et al. Role of sapphire nitridation temperature on GaN growth by plasma assisted molecular beam epitaxy. Part 2. Interplay between chemistry and structure of layers. J Appl Phys, 2002, 91:2508 doi: 10.1063/1.1435835
[7]
Saiton Y, Akiyama T, Nakamura K, et al. Ab initio-based approach to elemental nitridation process of α -Al2O3. J Cryst Growth, 2013, 362:29 doi: 10.1016/j.jcrysgro.2012.01.048
[8]
Akiyama T, Saito Y, Nakamura K, et al. Nitridation of Al2O3 surface:chemical and structural change triggered by oxygen desorption. Phys Rev Lett, 2013, 110:026101 doi: 10.1103/PhysRevLett.110.026101

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    Received: 14 April 2014 Revised: Online: Published: 01 November 2014

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      Article Navigation >  Journal of Semiconductors  > 2014  >  35(11): 116004
      Xingzhou Tang, Shuping Li, Junyong Kang, Jiaqi Chen. Kinetic process of nitridation on the α-sapphire surface[J]. Journal of Semiconductors, 2014, 35(11): 116004. doi: 10.1088/1674-4926/35/11/116004 ****X Z Tang, S P Li, J Y Kang, J Q Chen. Kinetic process of nitridation on the α-sapphire surface[J]. J. Semicond., 2014, 35(11): 116004. doi: 10.1088/1674-4926/35/11/116004.
      Citation:
      Xingzhou Tang, Shuping Li, Junyong Kang, Jiaqi Chen. Kinetic process of nitridation on the α-sapphire surface[J]. Journal of Semiconductors, 2014, 35(11): 116004. doi: 10.1088/1674-4926/35/11/116004 ****
      X Z Tang, S P Li, J Y Kang, J Q Chen. Kinetic process of nitridation on the α-sapphire surface[J]. J. Semicond., 2014, 35(11): 116004. doi: 10.1088/1674-4926/35/11/116004.
      shu

      Kinetic process of nitridation on the α-sapphire surface

      DOI: 10.1088/1674-4926/35/11/116004
      • 1.

        Department of Physics, Xiamen University, Xiamen 361005, China

      • 2.

        Key Laboratory of Semiconductor Materials and Application of Fujian Province, Xiamen 361005, China

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      • Corresponding author: Tang Xingzhou, Email:tangxzchina@qq.com
      • Received Date: 2014-04-14
      • Published Date: 2014-11-01

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