Title of article :
Preparation and electronic states of Na16Ba8Si136 clathrate
Author/Authors :
Rachi، نويسنده , , Takeshi and Tanigaki، نويسنده , , Katsumi and Kumashiro، نويسنده , , Ryotaro and Winter، نويسنده , , Johannes and Kuzmany، نويسنده , , Hans، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2005
Pages :
4
From page :
48
To page :
51
Abstract :
A Si136 compound with an endohedral accommodation of Ba is newly made and its electronic states are compared to those of pure silicon-network superconducting Ba8Si46. The resulting Na16Ba8Si136 has indeed a small density of states at the Fermi level and does not superconduct down to 2 K. Rietveld analyses show that Ba is accommodated in a Si28 cage with 0.98 occupancy and Na in Si20 with 0.61. The disappearance of superconductivity could be explained in terms of the little hybridization of Ba 5d/6s with Si28 polyhedral cluster orbitals, leading to a very low density of states at the Fermi level.
Journal title :
Chemical Physics Letters
Serial Year :
2005
Journal title :
Chemical Physics Letters
Record number :
1915670
Link To Document :
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