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Related Experiment Videos

Cluster approach to the Ti2Ni structure type.

N Ivanović1, D Rodić, V Koteski

  • 1Laboratory for Nuclear and Plasma Physics, Institute of Nuclear Sciences VINCA, PO Box 522, 11001 Belgrade, Serbia and Montenegro. nivanov@vin.bg.ac.yu

Acta Crystallographica. Section B, Structural Science
|January 26, 2006
PubMed
Summary

The Ti2Ni crystal structure exhibits icosahedral ordering in its first coordination clusters, driven by face-centered cubic translational ordering. This reveals atomic-level competition between regular crystal phases and icosahedral analogues.

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Area of Science:

  • Solid-state physics
  • Crystallography
  • Materials science

Background:

  • The Ti2Ni structure type (space group Fd3m) is characterized by 16(c) first coordination clusters.
  • Previous studies suggested orientational ordering along tetrahedron edges, but the precise atomic arrangement remained unclear.

Purpose of the Study:

  • To elucidate the atomic-level ordering principles governing the Ti2Ni crystal structure.
  • To explain the competition between regular crystal phases and icosahedral analogues at the atomic scale.
  • To provide a fundamental definition of first coordination in solids.

Main Methods:

  • Analysis of icosahedral-face orientational ordering within the 16(c) clusters.
  • Modeling the interplay between translational and orientational ordering.

Related Experiment Videos

  • Incorporation of hyperfine interaction measurements to assess electronic characteristics.

    • Main Results:

    • The crystal structure arises from face-centered cubic translational ordering dominating over cluster assembly.
    • A model is presented that reconstructs the competition between regular and icosahedral phases at the atomic level.
    • Distinct electronic characteristics at different crystallographic positions are explained.

    Conclusions:

    • The study provides an exact physical definition of first coordination in the solid state.
    • A fundamental basis for distinguishing between various structure types is established.
    • The findings offer insights into the formation and properties of complex crystal structures like Ti2Ni.