Skip to main content
SpringerLink
Log in

Quantum-chemical study of quasi-one-dimensional vanadium and niobium sulfides with Peierls distortion

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

Abstract

The electronic structure and lattice parameters of several quasi-one-dimensional compounds–known VS4, NbCl4, and NbS3 and hypothetical NbS4 and VS3–are obtained using density functional theory. Comparative analysis of chemical bonding and charge distribution in all these compounds reveals the possible origin of the structural instability of NbS4 and VS3.

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. W. A. Little, Rev. Mod. Phys., 36, 264 (1964).

    Article  Google Scholar 

  2. W. A. Little, Phys. Rev. A, 134, 1416 (1964).

    Article  Google Scholar 

  3. V. E. Fedorov, Chalcogenides of Refractory Transition Metals: Quasi-One-Dimensional Compounds [in Russian], Nauka, Novosibirsk (1988).

    Google Scholar 

  4. S. K. Srivastava and B. N. Avasthi, J. Mater. Sci., 27, 3693 (1992).

    Article  CAS  Google Scholar 

  5. P. Monceau, Adv. Phys., 61, 325 (1992).

    Article  Google Scholar 

  6. V. Y. Pokrovskii, S. G. Zybtsev, M. V. Nikitin, I. G. Gorlova, V. F. Nasretdinova, and S. V. Zaitsev-Zotov, Usp. Fiz. Nauk, 183, 33–54 (2013).

    Google Scholar 

  7. V. Y. Pokrovskii, S. G. Zybtsev, M. V. Nikitin, I. G. Gorlova, V. F. Nasretdinova, and S. V. Zaitsev-Zotov, Phys.–Usp., 56, 29 (2013).

    Article  CAS  Google Scholar 

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

    Article  Google Scholar 

  9. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys. Condens. Matter, 14, 2745 (2002).

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  11. J. Moreno and J. M. Soler, Phys. Rev. B, 45, 13891 (1992).

    Article  CAS  Google Scholar 

  12. R. Allmann, I. Baumann, A. Kutoglu, H. Rosch, and E. Hellner, Naturwissenschaften, 51, 263 (1964).

    Article  CAS  Google Scholar 

  13. D. R. Taylor, J. C. Calabrese, and E. M. Larsen, Inorg. Chem., 16, 721 (1977).

    Article  CAS  Google Scholar 

  14. G. P. Kostikova and D. V. Korol'kov, Usp. Khim., 54, 591–618 (1985).

    Article  CAS  Google Scholar 

  15. G. P. Kostikova and D. V. Korol'kov, Russ. Chem. Rev., 54, No. 4, 344–360 (1985).

    Article  Google Scholar 

  16. J. Rijnsdorp and F. Jellinek, J. Solid State Chem., 25, 325 (1978).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    M. N. Kozlova & V. E. Fedorov

  2. Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Ekaterinburg, Russia

    A. N. Enyashin

  3. Novosibirsk National Research State University, Novosibirsk, Russia

    V. E. Fedorov

Authors
  1. M. N. Kozlova
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. A. N. Enyashin
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. V. E. Fedorov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to V. E. Fedorov.

Additional information

Translated from Zhurnal Strukturnoi Khimii, Vol. 57, No. 8, pp. 1597–1605, November–December, 2016.

Original Russian Text © 2016 M. N. Kozlova, A. N. Enyashin, V. E. Fedorov.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Kozlova, M.N., Enyashin, A.N. & Fedorov, V.E. Quantum-chemical study of quasi-one-dimensional vanadium and niobium sulfides with Peierls distortion. J Struct Chem 57, 1505–1512 (2016). https://doi.org/10.1134/S0022476616080035

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0022476616080035

Keywords

Search

Navigation