Skip to main content
SpringerLink
Log in

Vacancy Ordering and Non-Stoichiometry in TiC1−x □x and TiN1−x □x

  • Chapter
Complex Inorganic Solids

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

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

5. References Cited

  1. John Dalton. A New System of Chemical Philosophy. R. Bickerstaff, 1808.

    Google Scholar 

  2. G. N. Lewis. Valence. The Chemical Catalog Company, 1923.

    Google Scholar 

  3. Jeremy K. Burdett and John F. Mitchell. Nonstoichiometry in early transition metal compounds with the rock salt structure. Prog. Solid St. Chem., 23:131–170, 1995.

    Article  CAS  Google Scholar 

  4. L. E. Toth. Transition Metal Carbides and Nitrides. Academic Press, New York, 1971.

    Google Scholar 

  5. V. A. Gubanov. Electronic Structure of Refractory Carbides and Nitrides. Cambridge University Press, 1994.

    Google Scholar 

  6. K. Schwarz. CRC Crit. Rev. Solid State Mater. Sci., 13:3, 1987.

    Article  Google Scholar 

  7. Hakan W. Hugosson, Pavel Korzhavyi, Ulf Jansson, Borje Johansson, and Olle Eriksson. Phase stabilities and structural relaxations in substoichiometric TiC1-x . Phys. Rev. B, 63:165116, 2001.

    Article  CAS  Google Scholar 

  8. Gus L. W. Hart and Barry M. Klein. Phonon instabilities in MoC and MoN. Phys. Rev. B, 61:3151–3154, 2000.

    Article  CAS  Google Scholar 

  9. J. M. Sanchez, F. Ducastelle, and D. Gratias. Generalized cluster description of multicomponent systems. Physica A, 128:334–350, 1984.

    Article  Google Scholar 

  10. D. de Fontaine. Cluster approach to order-disorder transformations in alloys. Solid State Physics, 47:33–176, 1994.

    Article  CAS  Google Scholar 

  11. D. de Fontaine. In H. Ehrenreich, F. Seitz, and D. Turnbull, editors, Solid State Physics, pages 73-, New York, 1979. Academic.

    Google Scholar 

  12. Alex Zunger. First-principles statistical mechanics of semiconductor alloys and inter-metallic compounds. In P. E. A. Turchi and A. Gonis, editors, Statics and Dynamics of Alloy Phase Transitions, NATO ASI Series, Ser. B, pages 361–419, New York, 1994. Plenum Press.

    Google Scholar 

  13. Alex Zunger, Ligen Wang, Gus L. W. Hart, and Mahdi Sanati. Obtaining Ising-like expansions for binary alloys from first principles. Modelling and Simulation in Materials Science and Engineering, 10:685–706, 2002.

    Article  CAS  Google Scholar 

  14. Axel van de Walle and G. Ceder. Automating first-principles phase diagram calculations. J. Phase Eq., 23:348, 2002.

    Article  Google Scholar 

  15. L. G. Ferreira, S.-H. Wei, and A. Zunger. First-principles calculation of alloy phase diagrams: the renormalized-interaction approach. Phys. Rev. B, 40:3197–3231, 1989.

    Article  CAS  Google Scholar 

  16. J. Ihm, Alex Zunger, and M. Cohen. J. Phys. C, 12:4409, 1979.

    Article  CAS  Google Scholar 

  17. G. Kresse and J. Furthmüller. Phys. Rev. B, 54:11169, 1996.

    Article  CAS  Google Scholar 

  18. G. Kresse and J. Furthmüller. Comput. Mat. Sri., 6:15, 1996.

    Article  CAS  Google Scholar 

  19. D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger. Efficient cluster expansion for substitional systems. Phys. Rev. B, 46:12587–12605, 1992.

    Article  Google Scholar 

  20. K. Binder. Monte Carlo Methods in Statistical Physics: An Introduction. Springer-Verlag, 1992.

    Google Scholar 

  21. K. Binder. Applications of the Monte Carlo Method in Statistical Physics. Springer-Verlag, 1987.

    Google Scholar 

  22. Z. W. Lu, D. B. Laks, S.-H. Wei, and A. Zunger. First-principles simulated-annealing study of phase transitions and short-range order in transition-metal and semiconductor alloys. Phys. Rev. B, 50:6642–6661, 1994.

    Article  CAS  Google Scholar 

  23. Chris Wolverton, Vidvuds Ozoliņš, and Alex Zunger. First-principles theory of short-range order in size-mismatched metal alloys: Cu-Au, Cu-Ag, and Ni-Au. Phys. Rev. B, 57:4332–4348, 1998.

    Article  CAS  Google Scholar 

  24. Chris Wolverton and Alex Zunger. Ni-Au: A testing ground for theories of phase stability. Computational Materials Science, 8:107–121, 1997.

    Article  CAS  Google Scholar 

  25. Chris Wolverton and Alex Zunger. Ising-like description of structurally relaxed ordered and disordered alloys. Phys. Rev. Lett., 75:3162–3165, 1995.

    Article  CAS  Google Scholar 

  26. Chris Wolverton, G. Ceder, D. de Fontaine, and H. Dreysse. Ab-initio determination of structural stability in fcc-based transition metal alloys. Phys. Rev. B, 48:726–747, 1993.

    Article  CAS  Google Scholar 

  27. L. G. Ferreira, S.-H. Wei, and Alex Zunger. Stability, electronic structure, and phase diagrams of novel inter-semiconductor compounds. The International Journal of Supercomputer Applications, 5:34–56, 1991.

    Article  Google Scholar 

  28. J. P. Dismukes and J. G. White. The preparation, properties, and crystal structures of some scandium sulfides in the range Sc2S3-ScS. Inorg. Chem., 2:1220, 1964.

    Article  Google Scholar 

  29. Jeremy K. Burdett and John F. Mitchell. Electronic origin of nonstoichiometry in early-transition-metal chalcogenides. Chem. Mat., 5:1465–1473, 1993.

    Article  CAS  Google Scholar 

  30. Gus L. W. Hart and Alex Zunger. Origins of non-stoichiometry and vacancy ordering in Sc1−x □xS. Phys. Rev. Lett., 87:275508, 2001.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physics and Astronomy, Northern Arizona University, Flagstaff, AZ, 86011-6010

    Gus L. W. Hart

  2. Department of Physics, University of California, Davis, CA, 95616

    Barry M. Klein

  3. Northern Arizona University, Flagstaff, AZ, 86011-6010

    Shanadeen Begay

Authors
  1. Gus L. W. Hart
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Barry M. Klein
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Shanadeen Begay
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Lawrence National Laboratory, Livermore, California

    Patrice E. A. Turchi , Antonios Gonis  & Annemarie Meike ,  & 

  2. Materials Science and Engineering Department and Information Technology Program, Rensselaer Polyechnic Institute, Troy, New York

    Krishna Rajan

Rights and permissions

Reprints and permissions

Copyright information

© 2005 Springer Science+Business Media, Inc.

About this chapter

Cite this chapter

Hart, G.L.W., Klein, B.M., Begay, S. (2005). Vacancy Ordering and Non-Stoichiometry in TiC1−x □x and TiN1−x □x . In: Turchi, P.E.A., Gonis, A., Rajan, K., Meike, A. (eds) Complex Inorganic Solids. Springer, Boston, MA. https://doi.org/10.1007/0-387-25953-8_8

Download citation

Publish with us

Policies and ethics

Search

Navigation