Simulating 2D-Diffraction Patterns of Model Gallium Arsenide Whisker Crystals
Sharkov M.D. 1, Prasolov N.D.1, Levin A.A. 1, Brunkov P.N.1
1Ioffe Institute, St. Petersburg, Russia

A set of GaAs whisker crystallites in the shape of hexagonal prism with the axisalong the [111] direction have been modeled as well as constructions consisting of such prisms. For these model samples XRD patterns have been calculated. Basing on the calculated XRD pattern analysis, a fitting configuration of prismatic fragments has been built for an atomic array obtained with the help of applying molecular dynamics techniques to the initial model prismatic GaAs crystallite. Keywords: whiskers, XRD pattern simulation, AIIIBV semiconductors, gallium arsenide.
  1. G.V. Ozolins, G.K. Averkieva, A.F. Ievins, N.A. Goryunova. Kristallografiya 7, 850 (1962). (in Russian)
  2. International Centre for Diffraction Data (ICDD). Powder Diffraction File-2 Release 2014. ICDD: Newton Square, PA, USA (2014)
  3. Zh.I. Alferov, V.M. Andreev, V.D. Rumyantsev. Springer Ser. Opt. Sci. 130, 25 (2007)
  4. S.S. Khludkov, O.P. Tolbanov, M.D. Vilisova, I.A. Prudaev. Semiconductor devices based on gallium arsenide with deep impurity centers. Publishing House TSU, Tomsk (2016). 256 p. (in Russian)
  5. N.G. Filonov, I.V. Ivonin. Electrophysical properties of structures with a Schottky barrier based on gallium arsenide. Izd.dom TGU, Tomsk (2018). 364 p. (in Russian)
  6. Crystal Growth Technology / Eds H.J. Scheel, T. Fukuda. John Wiley \& Sons Ltd., Chichester, UK (2003). 668 p
  7. G.E. Tsyrlin, V.G. Dubrovsky, N.V. Sibirev, I.P. Soshnikov, Yu.B. Samsonenko, A.A. Tonkikh, V.M. Ustinov. FTP 39, 5, 587 (2005). (in Russian)
  8. P.A. Alekseev, M.S. Dunaevsky, A.O. Mikhailov, S.P. Lebedev, A.A. Lebedev, I.V. Ilkiv, A.I. Ridges, A.D. Buravlev, G.E. Tsyrlin. FTP 52, 12, 1507 (2018). (in Russian).
  9. M.G. Krzhizhanovskaya, V.A. Firsova, R.S. Bubnova. Primenenie metoda Rietvelda dlya resheniya zadach poroshkovoy difraktometrii (Application of the Rietveld method for solving problems of powder diffractometry). Izd-vo SPbGU, SPb (2016). 68 p. (in Russian)
  10. Tsubota M., Kitagawa J. Sci. Rep. 7, 1, 15381 (2017)
  11. G.S. Pawley. J. Appl. Cryst. 14, 6, 357 (1981)
  12. A. Le Bail. Powder Diffraction 20, 4, 316 (2005)
  13. Handbook on Big Data and Machine Learning in the Physical Sciences /Eds K.K. van Dam, K.G. Yager, S.I. Campbell, R. Farnsworth, M. van Dam. Advanced Analysis Solutions for Leading Experimental Techniques. World Scientific Publishing Co, N.J. (2020). V. 2. 1000 p
  14. International Tables for Crystallography / Eds C.J. Gilmore, J.A. Kaduk, H. Schenk. Wiley (2019). V. H: Powder Diffraction. 932 p
  15. A. Tlahuice-Flores. Phys. Chem. Chem. Phys. 17, 8, 5551 (2015)
  16. M. Suleiman, C. Borchers, M. Guerdane, N.M. Jisrawi, D. Fritsch, R. Kirchheim, A. Pundt. Z. Phys. Chem. 223, 1--2, 169 (2009)
  17. P. Andreazza, C. Mottet, C. Andreazza-Vignolle, J. Penuelas, H.C.N. Tolentino, M. De Santis, R. Felici, N. Bouet. PRB 82, 15, 155453 (2010)
  18. A. Leonardi, P. Scardi. Metal. Mater Trans. A 47, 12, 5722 (2016)
  19. S. Plimpton. J. Comp. Phys. 117, 1, 1 (1995)
  20. Sandia Corporation. LAMMPS User Manual. Sandia National Laboratories, Albuquerque, NM / Livermore, CA (2003)
  21. B.F. Ormont. Introduction to physical chemistry and crystal chemistry of semiconductors. Vyssh. shk., M. (1982). 528 p. (in Russian)
  22. M.E. Boyko, M.D. Sharkov, A.M. Boyko, A.V. Bobyl, S.G. Konnikov, N.S. Budkina. ZhTF 85, 11, 1 (2015). (in Russian)
  23. W.H. Zachariasen. Theory of X-Ray Diffraction in Crystals. Dover Publications, NYC (1967). 256 p
  24. International Tables for Crystallography / Ed. E. Prince. Kluwer Academic Publishers, Dordrecht, Boston London (2004). V. C: Mathematical Physical and Chemical Tables. 1000 p
  25. A.V. Saveliev. General physics course. V. 2. Elektrichestvo i magnetizm, volny, optika. Nauka, M. (1988). 496 p. (in Russian)

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