Temperature dependence of the electronic transport in Al–Cu–Fe phases

The temperature dependences of the electronic conductivity and the thermoelectric power are theoretically examined for the i-Al–Cu–Fe (1/1) approximant in comparison with both crystalline ω-Al7Cu2Fe and amorphous Al84Fe16. Our study is based on ab initio results for the spectral curves which are obt...

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Bibliographic Details
Published in:Materials science & engineering. A, Structural materials : properties, microstructure and processing Structural materials : properties, microstructure and processing, 2000-12, Vol.294-296, p.600-603
Main Authors: Landauro, C.V., Solbrig, H.
Format: Article
Language:English
Subjects:
Electronic transport
Icosahedral clusters
Quasicrystals
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Summary:The temperature dependences of the electronic conductivity and the thermoelectric power are theoretically examined for the i-Al–Cu–Fe (1/1) approximant in comparison with both crystalline ω-Al7Cu2Fe and amorphous Al84Fe16. Our study is based on ab initio results for the spectral curves which are obtained by means of the linear muffin-tin orbitals (LMTO) method and the Kubo–Greenwood formula. Thermopowers are calculated after the Mott formula. We show that a realistic variety of thermopower curves versus temperature results from small shifts of the Fermi energy in a narrow resistivity peak. A simple model of the energy-dependent resistivity is suggested which supports the interpretation of the thermopower curves.
ISSN:0921-5093
1873-4936
DOI:10.1016/S0921-5093(00)01117-5