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CrZn17+delta (-0.75

Jana, Partha LU (2014) In Journal of Alloys and Compounds 610. p.55-61
Abstract
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... (More)
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. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Hume-Rothery phase, Synthesis, X-ray diffraction, Crystal structure, Defects, Electronic structure
in
Journal of Alloys and Compounds
volume
610
pages
55 - 61
publisher
Elsevier
external identifiers
  • wos:000338811100010
  • scopus:84901378080
ISSN
0925-8388
DOI
10.1016/j.jallcom.2014.04.010
language
English
LU publication?
yes
id
e58b79dc-2019-4288-ac3e-c403fe985522 (old id 4598883)
date added to LUP
2014-09-05 10:00:15
date last changed
2017-04-23 03:45:22
@article{e58b79dc-2019-4288-ac3e-c403fe985522,
  abstract     = {The gamma-brass related phase CrZn17+delta(-0.75 &lt;= delta &lt;= 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.},
  author       = {Jana, Partha},
  issn         = {0925-8388},
  keyword      = {Hume-Rothery phase,Synthesis,X-ray diffraction,Crystal structure,Defects,Electronic structure},
  language     = {eng},
  pages        = {55--61},
  publisher    = {Elsevier},
  series       = {Journal of Alloys and Compounds},
  title        = {CrZn17+delta (-0.75},
  url          = {http://dx.doi.org/10.1016/j.jallcom.2014.04.010},
  volume       = {610},
  year         = {2014},
}