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Article
Fermi Surface-Brillouin Zone Interactions in 2/1-2/1-2/1 Bergman-Type Approximant Na27Au27Ga31
Acta Physica Polonica A
  • U. Mizutani, Nagoya Industrial Science Research Institute
  • H. Sato, Aichi University of Education
  • M. Inukai, Nagoya Institute of Technology
  • E. S. Zijlstra, University of Kassel
  • Q. Lin, Iowa State University and Ames Laboratory
  • J. D. Corbett, Iowa State University and Ames Laboratory
  • Gordon J. Miller, Iowa State University and Ames Laboratory
Document Type
Article
Conference
The 12th International Conference on Quasicrystals
Publication Version
Published Version
Publication Date
8-1-2014
DOI
10.12693/APhysPolA.126.535
Conference Title
The 12th International Conference on Quasicrystals
Conference Date
September 1-6, 2013
Geolocation
(50.06465009999999, 19.94497990000002)
Abstract

The X-ray diffraction studies on a newly synthesized Na26Au25Ga29 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 Na27Au27Ga31 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 Na27Au27Ga31 with space group P a¯3. The square of the Fermi diameter (2kF)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 (2kF)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.

Comments

This is a conference proceeding from Proceedings of the 12th International Conference on Quasicrystals 126, (2014): 535, doi: 10.12693/APhysPolA.126.535. Posted with permission.

Copyright Owner
Acta Physica Polonica A
Language
en
File Format
application/pdf
Citation Information
U. Mizutani, H. Sato, M. Inukai, E. S. Zijlstra, et al.. "Fermi Surface-Brillouin Zone Interactions in 2/1-2/1-2/1 Bergman-Type Approximant Na27Au27Ga31" Krakow, PolandActa Physica Polonica A Vol. 126 Iss. 2 (2014) p. 535 - 538
Available at: http://works.bepress.com/gordon-miller/8/