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CrZn17+delta (-0.75

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Author

  • Partha Jana

Summary, in English

The gamma-brass related phase CrZn17+delta(-0.75 <= delta <= 2.00) in the Cr-Zn binary system has been synthesized and the structure has been analyzed by powder and single crystal X-ray diffraction. The compound crystallizes in the cubic space group F (4) over bar 3m (216). The unit cell contains 400-403 atoms. The phase width arises due to a disorder phenomenon. The structure can be described as an arrangement of nested polyhedral units, centered at sites of high symmetry points. The phase melts incongruently at similar to 744 K. Electronic structure calculations, using the tight-binding linear muffin-tin orbital atomic spheres approximation (TB-LMTOASA) method on the model of ordered "Cr5Zn96" shows the presence of a pseudogap at the Fermi level in the electronic density of states curves. (C) 2014 Elsevier B.V. All rights reserved.

Publishing year

2014

Language

English

Pages

55-61

Publication/Series

Journal of Alloys and Compounds

Volume

610

Document type

Journal article

Publisher

Elsevier

Topic

  • Chemical Sciences

Keywords

  • Hume-Rothery phase
  • Synthesis
  • X-ray diffraction
  • Crystal structure
  • Defects
  • Electronic structure

Status

Published

ISBN/ISSN/Other

  • ISSN: 0925-8388