Synthesis and characterization of the semiconducting metastable phase Al6Ge5

Metastable Al6Ge5 phase has been synthesized by mechanical alloying. Influence of milling time and stoichiometric ratio on the amount of Al6Ge5 were studied. In the better synthesis conditions, one finds purity of 58wt% from Rietveld refinement, the highest purity reported so far. For the first time...

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Bibliographic Details
Published in:Materials letters 2015-01, Vol.138, p.222-224
Main Authors: Esmilaire, R., Beaudhuin, M., Hermet, P., Fréty, Nicole, Ravot, D., Viennois, R.
Format: Article
Language:English
Subjects:
Acoustics
Chemical Sciences
Cristallography
Crystal structure
Density functional theory
Intermetallic alloys and compounds
Material chemistry
Mathematical analysis
Mechanical alloying
Metallurgy
Purity
Raman
Semiconductors
Simulation and Modeling
Synthesis
Thermoelectricity
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Summary:Metastable Al6Ge5 phase has been synthesized by mechanical alloying. Influence of milling time and stoichiometric ratio on the amount of Al6Ge5 were studied. In the better synthesis conditions, one finds purity of 58wt% from Rietveld refinement, the highest purity reported so far. For the first time, the crystal structure of Al6Ge5 has been fully solved by Rietveld refinement and confirmed by density functional theory (DFT) based calculation. We reported the experimental unpolarized Raman spectrum and the assignment of the main lines is performed using our DFT calculations. The existence of low energy optical modes able to scatter acoustical phonons and its semiconducting nature makes this compound promising for thermoelectric applications. •The highest purity reported for Al6Ge5 has been obtained by mechanical alloying.•Full structure of Al6Ge5 has been solved.•Full assignments of the Raman active modes have been performed.•Al6Ge5 can be a promising material for thermoelectric applications.
ISSN:0167-577X
1873-4979
DOI:10.1016/j.matlet.2014.10.001