Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2017-09-15
Print Publication Date2017-11
Permanent link to this recordhttp://hdl.handle.net/10754/625774
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AbstractWe investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address the effects of doping. While many half-Heuser alloys show excellent thermoelectric performance, the materials under study are special by supporting both n- and p-doping. We identify the reasons for this balanced thermoelectric transport and explain why experimentally p-doping is superior to n-doping. We also determine the spectrum of phonon mean free paths to guide grain refinement methods to enhance the thermoelectric figure of merit.
CitationGandi AN, Schwingenschlögl U (2017) Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys. physica status solidi (b): 1700419. Available: http://dx.doi.org/10.1002/pssb.201700419.
SponsorsThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.
Journalphysica status solidi (b)