Search results

Sort By:

Limit search:

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

100%

Mizutani U., Sato H., Inukai M., Zijlstra E., Lin Q., Corbett J., Miller G.

Acta Physica Polonica A

2014

vol. 126

issue 2

535-538

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.

Refine search results

1 Acta Physica Polonica A

1 2014

1 Corbett J.

1 Inukai M.

1 Lin Q.

1 Miller G.

1 Mizutani U.

1 Sato H.

1 Zijlstra E.

Search results

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