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Number of results
2014 | 126 | 2 | 535-538
Article title

Fermi Surface-Brillouin Zone Interactions in 2/1-2/1-2/1 Bergman-Type Approximant Na_{27}Au_{27}Ga_{31}

Content
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Languages of publication
EN
Abstracts
EN
The X-ray diffraction studies on a newly synthesized Na_{26}Au_{25}Ga_{29} single crystal revealed the formation of a single phase 2/1-2/1-2/1 Bergman-type approximant and the presence of Au/Ga mixed occupancies in its unit cell containing 680 atoms. The structure model of the 2/1-2/1-2/1 approximant with composition Na_{27}Au_{27}Ga_{31} was constructed by eliminating the chemical disorder with a minimum sacrifice of composition displacement. The full potential linearized augmented plane wave electronic structure calculations with subsequent full potential linearized augmented plane wave-Fourier analysis were performed for the 2/1-2/1-2/1 approximant Na_{27}Au_{27}Ga_{31} with space group Pa3̅. The square of the Fermi diameter (2k_{F})^2, electrons per atom ratio e/a and the critical reciprocal lattice vector |G|^2 are determined. A shallow pseudogap at the Fermi level was interpreted as originating from interference of electrons having (2k_{F})^2=109.2±1.0 with sets of lattice planes with |G|^2's centered at 108. The effective e/a value for the compound is found to be 1.76 in good agreement with 1.73 derived from a composition average of (e/a)_{Na}=1.0, (e/a)_{Au}=1.0 and (e/a)_{Ga}=3.0.
Keywords
EN
Contributors
author
  • Nagoya Industrial Science Research Institute, 1-13 Yotsuya-dori, Chikusa-ku, Nagoya, 464-0819, Japan
author
  • Aichi University of Education, Kariya-shi, Aichi, 448-8542, Japan
author
  • Nagoya Institute of Technology, Department of Frontier Materials, Gokiso-cho, Showa-ku, Nagoya 466-8555, Japan
author
  • Theoretical Physics, University of Kassel, 34132 Kassel, Germany
author
  • Ames Laboratory, US-DOE & Department of Chemistry, Iowa State University, U.S.A.
author
  • Ames Laboratory, US-DOE & Department of Chemistry, Iowa State University, U.S.A.
author
  • Ames Laboratory, US-DOE & Department of Chemistry, Iowa State University, U.S.A.
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv126n228kz
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