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Thermodynamic description of Ge-Mn-Si

Published online by Cambridge University Press:  28 May 2014

Alexandre Berche ,
Jean-Claude Tédenac ,
Philippe Jund  and
Stéphane Gorsse
Alexandre Berche
Affiliation:
ICGM-Université Montpellier II, UMR-CNRS 5253, Pl. E. Bataillon CC1506 Montpellier, 34095, France.
Jean-Claude Tédenac
Affiliation:
ICGM-Université Montpellier II, UMR-CNRS 5253, Pl. E. Bataillon CC1506 Montpellier, 34095, France.
Philippe Jund
Affiliation:
ICGM-Université Montpellier II, UMR-CNRS 5253, Pl. E. Bataillon CC1506 Montpellier, 34095, France.
Stéphane Gorsse
Affiliation:
ICMCB-Universite de Bordeaux, CNRS Pessac, F-33600, France.
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Abstract

Literature data of the Mn-Si system is analyzed and discordances are pointed out. First principles calculations are performed to clarify the enthalpies of formation of the intermetallic phases. Especially the enthalpies of formation of the various possible structures of the MnSix are discussed. On the basis of these new data, a thermodynamic description of the Gibbs energy of the phases is performed using the Calphad method. The system Ge-Mn is also assessed using the Calphad method for the first time.

The mixing enthalpy in the D88 solid solution is calculated between Mn5Ge3 and Mn5Si3 by DFT calculations.

Finally a thermodynamic description of the ternary system is suggested. Especially the solubility of germanium in MnSix is modeled.

Keywords

alloyphase equilibriathermoelectricity
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1642: Symposium BB – Thermoelectric Materials—From Basic Science to Applications , 2014 , mrsf13-1642-bb07-08
Copyright
Copyright © Materials Research Society 2014 

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References

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