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Features of the electron density distribution in antimony telluride Sb2Te3

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Abstract

Based on the results of electron density functional calculations of the electronic band structure of semiconductors Sb2Te3, Ge, Te, and semimetal Sb, the parameters of critical points in the electron density distribution (maxima, minima, and saddle points) in the lattices of the above materials are found. The data obtained are used to analyze the chemical bond nature in Sb2Te3.

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References

  1. C. Wood, Rep. Prog. Phys. 51, 459 (1988).

    Article  ADS  Google Scholar 

  2. D. Hsieh, Y. Xia, D. Qian, L. Wray, J. H. Dil, J. Osterwalder, L. Patthey, A, V. Fedorov, H. Lin, A. Bansil, D.Grauer, Y. S. Hor, R. J. Cava, and M. Z. Hasan, Phys. Rev. Lett. 103, 146401 (2009).

    Article  ADS  Google Scholar 

  3. M. Wuttig and N. Yamada, Nature Mater. 6, 824 (2007).

    Article  ADS  Google Scholar 

  4. T. Siegrist, P. Merkelbach, and M. Wuttig, Ann. Rev. Condens. Matter Phys. 3, 215 (2012).

    Article  Google Scholar 

  5. V. L. Deringer, R. Dronkowski, and M. Wuttig, Adv. Funct. Mater. 25, 6343 (2015).

    Article  Google Scholar 

  6. N. Yamada, E. Ohno, K. Nishiuchi, N. Akahira, and M. Takao, J. Appl. Phys. 69, 2849 (1991).

    Article  ADS  Google Scholar 

  7. J. H. Coombs, A. P. J. M. Jongenelis, W. van Es-Spiekman, and B. A. Jacobs, J. Appl. Phys. 78, 4906 (1995).

    Article  ADS  Google Scholar 

  8. M. H. Lankhost, B. W. Ketelaars, and R. A. Wolters, Nat. Mater. 4, 347 (2005).

    Article  ADS  Google Scholar 

  9. F. Xiong, A. D. Liao, D. Estrada, and E. Pop, Science 232, 568 (2011).

    Article  ADS  Google Scholar 

  10. G. Lucovsky and R. M. White, Phys. Rev. B 8, 660 (1973).

    Article  ADS  Google Scholar 

  11. K. Shportko, S. Kremers, M. Woda, D. Lencer, J. Robertson, and M. Wuttig, Nat. Mater. 7, 653 (2008).

    Article  ADS  Google Scholar 

  12. L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell Univ. Press, Ithaca, New York, 1960).

    MATH  Google Scholar 

  13. P. Hohenberg and W. Kohn, Phys. Rev. 136, B 864 (1964).

    Article  ADS  MathSciNet  Google Scholar 

  14. W. Kohn and L. J. Sham, Phys. Rev. 140, A 1133 (1965).

    Article  ADS  MathSciNet  Google Scholar 

  15. W. Welnic, A. Pamungkas, R. Detemple, C. Steimer, S. Blügel, and M. Wuttig, Nat. Mater. 5, 56 (2006).

    Article  ADS  Google Scholar 

  16. M. Wuttig, D. Lüsebrink, D. Wamwangi, W. Welnic, M. Gilleßen, and R. Dronskowski, Nat. Mater. 6, 122 (2007).

    Article  ADS  Google Scholar 

  17. A. V. Kolobov, M. Krbal, P. Fons, J. Tominaga, and T. Uruga, Nat. Chem. 3, 311 (2011).

    Article  Google Scholar 

  18. A. V. Kolobov, P. Fons, J. Tominaga, and S. R. Ovshinsky, Phys. Rev. B 87, 165206 (2013).

    Article  ADS  Google Scholar 

  19. A. V. Kolobov, P. Fons, J. Tominaga, and M. Hase, J. Phys. Chem. C 118, 10248 (2014).

    Article  Google Scholar 

  20. R. F. W. Bader, in Atoms in Molecules: A Quantum Theory, Vol. 22: Int. Series of Monographs on Chemistry (Oxford Science Publ., Oxford, 1990).

    Google Scholar 

  21. C. Gatti, Z. Kristallogr. 220, 399 (2005).

  22. The Quantum Theory of Atoms in Molecules. From Solid State to DNA and Drug Design, Ed. by C. F. Matta and R. J. Boyd (Wiley-VCH, Weinheim, 2007).

  23. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k, An Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Tech. Univ. Wien, Austria, 2001).

    Google Scholar 

  24. F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009).

    Article  ADS  Google Scholar 

  25. H. Dixit, R. Saniz, S. Cottenier, D. Lamoen, and B. Patroens, J. Phys.: Condens. Matter 24, 205503 (2012).

    ADS  Google Scholar 

  26. http://computing.kiae.ru/.

  27. A. Otero-de-la-Roza, E. R. Johnson, and V. Luaña, Comput. Phys. Commun. 185, 1007 (2014).

    Article  ADS  Google Scholar 

  28. J. F. C. Baker and M. Hart, Acta Crystallogr. A 31, 364 (1975).

    Article  ADS  Google Scholar 

  29. C. S. Barrett, P. Cucka, and K. Haefner, Acta Crystallogr. 16, 451 (1962).

    Article  Google Scholar 

  30. R. Keller, W. B. Holzapfel, and H. Schulz, Phys. Rev. B 16, 4404 (1977).

    Article  ADS  Google Scholar 

  31. T. L. Anderson and H. B. Krause, Acta Crystallogr. B 30, 1307 (1974).

    Article  Google Scholar 

  32. G. G. Macfarlane, T. P. McLean, J. E. Quarrington, and V. Roberts, Phys. Rev. 108, 1377 (1957).

    Article  ADS  Google Scholar 

  33. P. Grosse, Springer Tracts Mod. Phys. 48 (1969).

    Google Scholar 

  34. R. Sehr and L. R. Testardi, J. Phys. Chem. Solids 23, 1219 (1962).

    Article  ADS  Google Scholar 

  35. International Tables for Crystallography, Vol. A: Space Group Symmetry, Ed. by Th. Hahn (Springer, 2005).

  36. M. Morse and S. S. Cairns, in Critical Point Theory in Global Analysis and Differential Geometry (Academic, New York, 1969).

    MATH  Google Scholar 

  37. J. D. Joannopoulos, M. Schlütter, and M. L. Cohen, Phys. Rev. B 11, 2186 (1975).

    Article  ADS  Google Scholar 

  38. G. Wang and T. Cagin, Phys. Rev. B 76, 075201 (2007).

    Article  ADS  Google Scholar 

Download references

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Authors and Affiliations

  1. Russian Research Center “Kurchatov Institute,”, pl. Kurchatova 1, Moscow, 119991, Russia

    V. G. Orlov & G. S. Sergeev

  2. Moscow Institute of Physics and Technology, Institutskii per. 9, Dolgoprudnyi, Moscow oblast, 141700, Russia

    V. G. Orlov

Authors
  1. V. G. Orlov
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  2. G. S. Sergeev
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Correspondence to G. S. Sergeev.

Additional information

Original Russian Text © V.G. Orlov, G.S. Sergeev, 2017, published in Fizika Tverdogo Tela, 2017, Vol. 59, No. 7, pp. 1278–1285.

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Orlov, V.G., Sergeev, G.S. Features of the electron density distribution in antimony telluride Sb2Te3 . Phys. Solid State 59, 1302–1309 (2017). https://doi.org/10.1134/S1063783417070162

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  • DOI: https://doi.org/10.1134/S1063783417070162

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