Thermoelectric properties, optimal doping levels and high figure of merit in Cobalt-based Half/Full Heusler alloys by First-Principles calculations

•Up-spin Seebeck coefficient showed a greater effect along the p-type in these alloys.•P-type doping brought optimise up-spin figure of merit in these alloys.•The figure of merit in these Heusler alloys is dependent on temperature increase. We present the thermoelectric properties of Co2MnPb, Co2MnS...

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Bibliographic Details
Published in:Materials science & engineering. B, Solid-state materials for advanced technology Solid-state materials for advanced technology, 2019-09, Vol.248, p.114409, Article 114409
Main Authors: Agbaoye, Ridwan Olamide, Adebambo, Paul Olufunso, Adetunji, Bamidele Ibrahim, Osafile, Omosede, Adebayo, Gboyega Augustine
Format: Article
Language:English
Subjects:
Boltzmann transport equation
Cobalt-based Heusler alloys
Doping
Electrical resistivity
Figure of merit
First principles
Heusler alloys
Mathematical analysis
Relaxation time
Seebeck coefficient
Seebeck effect
Thermal conductivity
Thermoelectric properties
Thermoelectricity
Transport properties
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Summary:•Up-spin Seebeck coefficient showed a greater effect along the p-type in these alloys.•P-type doping brought optimise up-spin figure of merit in these alloys.•The figure of merit in these Heusler alloys is dependent on temperature increase. We present the thermoelectric properties of Co2MnPb, Co2MnSn, CoMnPb, and CoMnSn Heusler alloys, with the effect of doping on the alloys and the resulting high figure of merit. From the Boltzmann transport equations, we calculated the transport coefficient of each of these Heusler alloys. These help in determining the electrical conductivity, Seebeck coefficient, thermal conductivity per relaxation time and the figure of merit for both the up-spin and down-spin of the alloys. From our results, the down-spin electrical conductivity per relaxation time showed improved results along the p-type carrier when compared with that of the n-type carrier. The up-spin Seebeck coefficient showed a more significant effect along the p-type in Co2MnPb, Co2MnSn, and CoMnSn, whereas it has sharp peaks along the n-type carrier for CoMnPb Heusler alloys. The combinations of the constituent elements result in a high figure of merit in the alloys, which will improve if appropriately doped.
ISSN:0921-5107
1873-4944
DOI:10.1016/j.mseb.2019.114409