Skip to main content
SpringerLink
Log in

Strong Elastic Anisotropy of Low-Dimensional Ternary Compounds: InXTe3 (X = Si, Ge)

  • Original Research Article
  • Published:
Journal of Electronic Materials Aims and scope Submit manuscript

Abstract

The stability, anisotropic elastic behavior and electronic properties of trigonal In2Si2Te6, InSiTe3, In2Ge2Te6, and InGeTe3 compounds have been studied by first-principles calculations. The exchange-correlation energy of electrons has been treated using the Perdew–Burke–Ernzerhof parametrization. The calculated formation energies and elastic constants show that all the compounds are both thermodynamically and mechanically stable. Mechanical properties such as the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, B/G ratio, Debye temperature, and sound velocity are discussed in detail. We have analyzed their anisotropic indexes and elastic anisotropies by three-dimensional surface constructions. The present results indicate that the compounds are elastically strongly anisotropic. These materials are found to be semiconductor in nature with indirect band gaps by the analysis of their electronic structures. It can be expected that all the compounds have low thermal conductivity.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Figure 1
Figure 2
Figure 3
Figure 4
Figure 5

Similar content being viewed by others

References

  1. V. Carteaux, D. Brunet, G. Ouvrard, and G. Andre, J. Phys. Condens. Matter, 7, 691995 (1995).

    Article  CAS  Google Scholar 

  2. D. Yang, W. Yao, Q. Chen, K. Peng, P. Jiang, X. Lu, C. Uher, T. Yang, G. Wang, and X. Zhou, Chem. Mater., 28,  1611 (2016).

    Article  CAS  Google Scholar 

  3. X. Tang, D. Fan, L. Guo, H. Tan, S. Wang, X. Lu, X. Cao, G. Wang, and X. Zhou, Appl. Phys. Lett., 113,  263902 (2018)

    Article  Google Scholar 

  4. G. Ouvrard, E. Sandre, and R. Brec, J. Solid State Chem., 73,  27 (1988)

    Article  CAS  Google Scholar 

  5. E.R. Marsh, J. Solid State Chem., 77,  190 (1988).

    Article  CAS  Google Scholar 

  6. Y. Liu, and C. Petrovic, Phys. Rev. Mater., 3,  14001 (2019).

    Article  CAS  Google Scholar 

  7. S. Seidlmayer, Strukturchemische Untersuchungen an Hexachalkogenohypodiphosphaten und verwandten Verbindungen. Dissertation, University Regensburg, 2009.

  8. R. Lefèvre, D. Berthebaud, O. Lebedev, O. Pérez, C. Castro, S. Gascoin, D. Chateigner, and F. Gascoin, J. Mater. Chem. A, 19406 (2017).

    Article  Google Scholar 

  9. E. Sandre, V. Carteaux, and G. Ouvrard, C. R. Acad. Sci. Ser. II, 314,  1151 (1992).

    CAS  Google Scholar 

  10. T. Suriwong, K. Kurosaki, and S. Thongtem, J. Alloys Compd., 735,  75 (2018).

    Article  CAS  Google Scholar 

  11. A. Jain, S.P. Ong, G. Hautier, W. Chen, W.D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, and K.A. Persson, APL Mater., 1,  11002 (2013).

    Article  Google Scholar 

  12. G. Kresse, and J. Furthmuller, Comput. Mater. Sci., 6,  15 (1996).

    Article  CAS  Google Scholar 

  13. G. Kresse, and J. Furthmuller, Phys. Rev. B, 54,  11169 (1996).

    Article  CAS  Google Scholar 

  14. Material Designs Inc. MedeA® VASP http://www.materialsdesign.com/medea/medea-vasp (2015).

  15. G. Kresse, and D. Joubert, Phys. Rev. B, 59,  1758 (1999).

    Article  CAS  Google Scholar 

  16. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77,  3865 (1996).

    Article  CAS  Google Scholar 

  17. H.J. Monkhorst, and J.D. Pack, Phys. Rev. B, 13,  5188 (1976)

    Article  Google Scholar 

  18. Y. Le Page, and P. Saxe, Phys. Rev. B, 65,  104104 (2002).

    Article  Google Scholar 

  19. Y. Luo, S. Cai, S. Hao, F. Pielnhofer, I. Hadar, Z.Z. Luo, J. Xu, C. Wolverton, V.P. Dravid, A. Pfitzner, Q. Yan, and M.G. Kanatzidis, Joule, 4,  199 (2020).

    Google Scholar 

  20. E. Deligoz, H.B. Ozisik, and H. Ozisik, Solid State Sci., 96,  105942 (2019).

    Article  CAS  Google Scholar 

  21. M. Born, Proc. Camb. Philos. Soc., 36,  160 (1940).

    Article  CAS  Google Scholar 

  22. R.M. Jebasty, and R. Vidya, ACS Biomater. Sci. Eng., 2001 (2019).

    Article  CAS  Google Scholar 

  23. U.F. Ozyar, E. Deligoz, and K. Colakoglu, Solid State Sci., 40,  92 (2015).

    Article  CAS  Google Scholar 

  24. L. Bao, D. Qu, Z. Kong, and Y. Duan, Solid State Sci., 98,  106027 (2019).

    Article  CAS  Google Scholar 

  25. W. Voigt, Lehrbuch der Kristallpysik Taubner, Leipzig (1928).

  26. A. Reuss, and Z. Angew, Math. Mech., 9,  49 (1929).

    CAS  Google Scholar 

  27. R. Hill, Proc. Phys. Soc., 65,  349 (1952).

    Article  Google Scholar 

  28. S.A. Khandy, I. Islam, A. Laref, M. Gogolin, A.K. Hafiz, and A.M. Siddiqui, Int. J. Energy Res., 44,  2594 (2020).

    Article  CAS  Google Scholar 

  29. X. Wang, H. Xiang, X. Sun, J. Liu, F. Hou, and Y. Zhou, J. Mater. Sci. Technol., 31,  369 (2015).

    Article  Google Scholar 

  30. M.A. Hadi, N. Kelaidis, S.H. Naqib, A. Chroneos, and A.K.M.A. Islam, J. Phys. Chem. Solids, 129,  162 (2019).

    Article  CAS  Google Scholar 

  31. U. Aydemir, J. Pohls, H. Zhu, G. Hautier, S. Bajaj, Z.M. Gibbs, W. Chen, G. Li, S. Ohno, D. Broberg, S.D. Kang, M. Asta, G. Ceder, M.A. White, K. Persson, A. Jaing, and G.J. Snyder, J. Mater. Chem. A, 4,  2461 (2016).

    Article  CAS  Google Scholar 

  32. W. Kim, J. Mater. Chem. C, 3,  10336 (2015).

    Article  CAS  Google Scholar 

  33. M. Bouchenafa, A. Benmakhlouf, M. Sidoumou, A. Bouhemadou, S. Maabed, M. Halit, A. Bentabetd, S. Bin-Omranf, R. Khenatag, and Y. Al-Dourihk, Mater. Sci. Semicond. Proces., 114,  105085 (2020).

    Article  CAS  Google Scholar 

  34. S.F. Pugh, Philos. Mag. Ser., 45,  823 (1954).

    Article  CAS  Google Scholar 

  35. J.J. Lewandowski, W.H. Wang, and A.L. Greer, Philos. Mag. Lett., 85,  77 (2005).

    Article  CAS  Google Scholar 

  36. I. Johnston, G. Keeler, R. Rollins, and S. Spicklemire, Solid State Physics Simulations, The Consortium for Upper-Level Physics Software, 1st edn. (Wiley, New York, 1996)

    Google Scholar 

  37. O.L. Anderson, J. Phys. Chem. Solids, 24,  909 (1963).

    Article  CAS  Google Scholar 

  38. E. Schreiber, O.L. Anderson, and N. Soga, Elastic Constants and Their Measurements (McGraw-Hill, New York, 1973)

    Google Scholar 

  39. F. Arab, F.A. Sahraoui, K. Haddadi, A. Bouhemadou, and L. Louail, Phase Transit., 89,  480 (2016).

    Article  CAS  Google Scholar 

  40. N. Miao, B. Sa, J. Zhou, and Z. Sun, Comput. Mater. Sci., 50,  1559 (2011).

    Article  CAS  Google Scholar 

  41. S.I. Ranganathan, and M. Ostoja-Starzewski, Phys. Rev. Lett., 101,  055504 (2008).

    Article  Google Scholar 

  42. R. Gaillac, P. Pullumbi, and F.X. Coudert, J. Phys. Condens. Madde, 28,  275201 (2016).

    Article  Google Scholar 

  43. V.A. Gorodtsov, and D.S. Lisovenko, Mech. Mater., 134,  1 (2019).

    Article  Google Scholar 

  44. L. Debbichi, H. Kim, T. Björkman, O. Eriksson, and S. Lebègue, Phys. Rev. B, 93,  245307 (2016).

    Article  Google Scholar 

Download references

Acknowledgments

The numerical calculations reported in this study were performed at High Performance Computers (HPC) at Aksaray University Science and Technology Application and Research Center.

Author information

Authors and Affiliations

  1. Department of Physics, Aksaray University, 68100, Aksaray, Turkey

    M. A. Korkmaz, E. Deligoz & H. Ozisik

  2. Department of Radiation and Accelerator Technologies, Turkish Atomic Energy Authority, 6983, Ankara, Turkey

    M. A. Korkmaz

Authors
  1. M. A. Korkmaz
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. Deligoz
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. H. Ozisik
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to E. Deligoz.

Ethics declarations

Conflict of interest

The authors declare that they have no conflict of interest.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Korkmaz, M.A., Deligoz, E. & Ozisik, H. Strong Elastic Anisotropy of Low-Dimensional Ternary Compounds: InXTe3 (X = Si, Ge). J. Electron. Mater. 50, 2779–2788 (2021). https://doi.org/10.1007/s11664-021-08784-0

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11664-021-08784-0

Keywords

Search

Navigation