Skip to main content
SpringerLink
Log in

First-principles study of the phonon spectrum of ɛ-GaSe

  • Lattice Dynamics
  • Published:
Physics of the Solid State Aims and scope Submit manuscript

Abstract

The phonon spectrum and phonon density of states of ɛ-GaSe layered semiconductor have been studied from the first principles in the linear-response approximation. The elastic constants and acoustic velocities along and across layers have been determined. The study of the equilibrium structure and phonon spectrum of the (0001) surface of ɛ-GaSe has demonstrated that the volume and surface structural dynamic properties of these crystals differ insignificantly. The calculated frequencies and symmetries of the phonon modes in the center of the Brillouin zone are in good agreement with the experimental data obtained from the Raman scattering and infrared spectra.

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

Similar content being viewed by others

References

  1. P. Gianozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B: Condens. Matter 43, 7231 (1991).

    Article  ADS  Google Scholar 

  2. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Gianozzi, Rev. Mod. Phys. 73, 515 (2001).

    Article  ADS  Google Scholar 

  3. X. Gonze, Phys. Rev. B: Condens. Matter 55, 10337 (1997).

    Article  ADS  Google Scholar 

  4. G. Lucazeau, Solid State Commun. 18, 917 (1976).

    Article  ADS  Google Scholar 

  5. R. Zallen and M. Slade, Phys. Rev. B: Solid State 9, 1627 (1974).

    Article  ADS  Google Scholar 

  6. L. Plucinski, R. L. Johnson, B. J. Kowalski, K. Kopalko, B. A. Orlowski, Z. D. Kovalyuk, and G. V. Lashkarev, Phys. Rev. B: Condens. Matter 68, 125304 (2003).

    Article  ADS  Google Scholar 

  7. X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, and F. Jallet, Comput. Mater. Sci. 25, 478 (2002).

    Article  Google Scholar 

  8. J. P. Perdew and A. Zunger, Phys. Rev. B: Condens. Matter 23, 5048 (1981).

    Article  ADS  Google Scholar 

  9. C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B: Condens. Matter 58, 3641 (1998).

    Article  ADS  Google Scholar 

  10. N. Troullier and L. Martins, Phys. Rev. B: Condens. Matter 43, 1993 (1991).

    Article  ADS  Google Scholar 

  11. H. Monkhorst and J. Pack, Phys. Rev. B: Solid State 13, 5188 (1976).

    Article  MathSciNet  ADS  Google Scholar 

  12. A. Kuhn, A. Chevy, and R. Chevaller, Phys. Status Solidi A 31, 469 (1975).

    Article  ADS  Google Scholar 

  13. S. Jandl and J. L. Brebner, Can. J. Phys. 52, 2454 (1974).

    Google Scholar 

  14. R. M. Hoff and J. C. Irvin, Phys. Rev. B: Solid State 10, 3464 (1974).

    Article  ADS  Google Scholar 

  15. E. Finkman and A. Rizzo, Solid State Commun. 15, 1841 (1974).

    Article  ADS  Google Scholar 

  16. B. M. Powell, S. Jandl, J. L. Brebner, and F. Levy, J. Phys. C: Solid State Phys. 10, 3039 (1977).

    Article  ADS  Google Scholar 

  17. Ch. Hamaguchi. K. Wasa, and M. Yamawaki, in Proceedings of the III International Conference on Phonon Scattering in Condensed Matter, Providence, Rhode Island, August 28–31, 1979, Ed. by H. J. Maris (Plenum, New York, 1980), p. 441.

    Google Scholar 

  18. M. Gatulle, M. Fischer, and A. Chevy, Phys. Status Solidi B 119, 327 (1983).

    Article  ADS  Google Scholar 

  19. Z. A. Iskender-Zade, V. D. Faradzhev, and A. I. Agaev, Sov. Phys. Solid State 19(3), 492 (1977).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Physics, Azerbaijan National Academy of Sciences, pr. H. Javid 33, Baku, AZ1141, Azerbaijan

    Z. A. Jahangirli

  2. Azerbaijan Technical University, pr. H. Javid 25, Baku, AZ1073, Azerbaijan

    Z. A. Jahangirli

Authors
  1. Z. A. Jahangirli
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Z. A. Jahangirli.

Additional information

Original Russian Text © Z.A. Jahangirli, 2012, published in Fizika Tverdogo Tela, 2012, Vol. 54, No. 7, pp. 1380–1383.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Jahangirli, Z.A. First-principles study of the phonon spectrum of ɛ-GaSe. Phys. Solid State 54, 1467–1470 (2012). https://doi.org/10.1134/S1063783412070153

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1063783412070153

Keywords

Search

Navigation