Skip to main content
SpringerLink
Log in

Ground State Properties of the Al-Ti System

  • Published:
MRS Online Proceedings Library Aims and scope

Abstract

Ground state structural energies and lattice constants of Al-Ti system have been studied using the linear muffin-tin orbital (LMTO) method. In particular, we examine the effects of various approximations for the potential on the structural energies of low-symmetry compounds such as Al3Ti. In order to stabilize Al3Ti, in the atomic sphere approximation, the Muffin-Tin correction is essential although the resulting c/a is 10% too large. The lattice constants calculated with the full-potential LMTO method are in complete agreement with experiments, indicating the importance of non-sphericity of the potential for low-symmetry systems.

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. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984); O. K. Andersen, O. Jepsen, and D. Glötzel, in Highlights of Condensed Matter Theory, edited by F. Bassani, F. Fumi, and M. P. Tosi (North-Holland, New York,1985); O. K. Andersen, O. Jepsen, and M. Sob, inElectronic Band Structure and its Applications, edited by M. Yussouff (Springer-Verlag, Berlin, 1987) p. 1.

    Article  CAS  Google Scholar 

  2. H. L. Skriver, The LMTO Method (Springer-Verlag, Berlin,1984).

    Book  Google Scholar 

  3. Mark van Schilfgaarde, unpublished.

  4. Mark Asta et al., these proceedings.

  5. Prabhakar P. Singh and Kian S. Dy, Z. Phys. D, to be published.

  6. Prabhakar P. Singh, Ph. D. Thesis, (University of North Carolina at Chapel Hill), 1989 (unpublished)

  7. N. E. Christensen and S. Satpathy, Phys. Rev. Lett., 55, 600 (1985).

    Article  CAS  Google Scholar 

  8. D. M. Nicholson et al., Mat. Res. Soc. Sym. Proc. v133, pp. 17–22.

Download references

Acknowledgments

This work was supported by Los Alamos National Laboratory (contract no. UC.87.1.A.15) and by a grant from MSNW, Inc., San Diego.

Author information

Authors and Affiliations

  1. Dept. of Materials Science and Mineral Engineering, University of California, Berkeley, CA, USA

    Prabhakar P. Singh

  2. Dept. of Physics, University of California, Berkeley, CA, USA

    Mark Asta

  3. Dept. of Materials Science and Mineral Engineering, University of California, Berkeley, CA, USA

    Didier de Fontaine

  4. SRI, Menlo Park, CA, USA

    Mark van Schilfgaarde

Authors
  1. Prabhakar P. Singh
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Mark Asta
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Didier de Fontaine
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Mark van Schilfgaarde
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Singh, P.P., Asta, M., de Fontaine, D. et al. Ground State Properties of the Al-Ti System. MRS Online Proceedings Library 186, 41–46 (1990). https://doi.org/10.1557/PROC-186-41

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1557/PROC-186-41

Search

Navigation