JJAP Conference Proceedings

JJAP Conf. Proc. 8, 011001 (2020) doi:10.7567/JJAPCP.8.011001

First Principle Band Calculations of Mg2Si Thin Films with (001) and (110) Orientations

Masahisa Takizawa, Takashi Komine, Haruhiko Udono, Tomosuke Aono

  1. Department of Electrical and Electronic Systems Engineering, Ibaraki University, Hitachi, Ibaraki 316-8511, Japan
  • Received September 28, 2019
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Abstract

We investigate the surface band structure in Mg2Si thin films using the first principle band structure calculations. When the film is stacked along the [001] direction, surface band structures appear inside quantum confinement band structures originates from the bulk band structure. When the film is stacked along the [110] direction, the semiconductor gap retains while a direct band gap appears.

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References

  1. 1 R. G. Morris, R. D. Redin, and G. C. Danielson, Phys. Rev. 109, 1909 (1958).
  2. 2 M. Heller and G. Danielson, J. Phys. Chem. Solids 23, 601 (1962).
  3. 3 P. M. Lee, Phys. Rev. 135, A1110 (1964).
  4. 4 N. O. Folland, Phys. Rev. 158, 764 (1967).
  5. 5 J. E. Mahan, A. Vantomme, G. Langouche, and J. P. Becker, Phys. Rev. B 54, 16965 (1996).
  6. 6 A. Vantomme, J. E. Mahan, G. Langouche, J. P. Becker, M. Van Bael, K. Temst, and C. Van Haesendonck, Appl. Phys. Lett. 70, 1086 (1997).
  7. 7 A. Vantomme, G. Langouche, J. Mahan, and J. Becker, Microelectron. Eng. 50, 237 (2000).
  8. 8 Y. Wang, X. N. Wang, Z. X. Mei, X. L. Du, J. Zou, J. F. Jia, Q. K. Xue, X. N. Zhang, and Z. Zhang, J. Appl. Phys. 102, 126102 (2007).
  9. 9 T. Serikawa, M. Henmi, T. Yamaguchi, H. Oginuma, and K. Kondoh, Surf. Coatings Technol. 200, 4233 (2006).
  10. 10 N. G. Galkin, K. N. Galkin, and S. V. Vavanova, e-J. Surf. Sci. Nanotechnol. 3, 12 (2005).
  11. 11 N. Galkin, S. Vavanova, A. Maslov, K. Galkin, A. Gerasimenko, and T. Kaidalova, Thin Solid Films 515, 8230 (2007).
  12. 12 J. Tani and H. Kido, J. Ceram. Soc. Jpn. 123, 298 (2015).
  13. 13 I. Kogut and M.-C. Record, Thin Solid Films 522, 149 (2012).
  14. 14 Y. Imai, M. Sohma, and T. Suemasu, J. Alloys Compd. 676, 91 (2016).
  15. 15 J. Liao, K. Li, F. Wang, X. Zeng, and N. Zhou, Solid State Commun. 183, 41 (2014).
  16. 16 H. Balout, P. Boulet, and M.-C. Record, J. Phys. Chem. C 118, 19635 (2014).
  17. 17 D. Migas, V. Bogorodz, A. Filonov, V. Borisenko, and N. Skorodumova, Surf. Sci. 670, 51 (2018).
  18. 18 P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (Vienna University of Technology, Vienna, 2001).
  19. 19 J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
  20. 20 P. Koenig, D. Lynch, and G. Danielson, J. Phys. Chem. Solids 20, 122 (1961).
  21. 21 A. Stella, A. D. Brothers, R. H. Hopkins, and D. W. Lynch, Phys. Status Solidi B 23, 697 (1967).
  22. 22 M. Takezaki, Y. Yamanaka, M. Uchikoshi, and H. Udono, Phys. Status Solidi C 10, 1812 (2013).
  23. 23 H. Udono, Y. Yamanaka, M. Uchikoshi, and M. Isshiki, J. Phys. Chem. Solids 74, 311 (2013).
  24. 24 H. Udono, H. Tajima, M. Uchikoshi, and M. Itakura, Jpn. J. Appl. Phys. 54, 07JB06 (2015).