Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2017-09-15Online Publication Date
2017-09-15Print Publication Date
2017-11Permanent link to this record
http://hdl.handle.net/10754/625774
Metadata
Show full item recordAbstract
We 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.Citation
Gandi 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.Sponsors
The 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.Publisher
WileyJournal
physica status solidi (b)Additional Links
http://onlinelibrary.wiley.com/doi/10.1002/pssb.201700419/fullae974a485f413a2113503eed53cd6c53
10.1002/pssb.201700419