Giant thermoelectric figure of merit in multivalley high-complexity-factor LaSO
- Publication Type
- Original research
- Authors
We report a giant thermoelectric figure of merit Z T (up to six at 1100 K) in n-doped lanthanum oxysulphate LaSO. Thermoelectric coefficients are computed from ab initio bands within Bloch-Boltzmann theory in an energy-, chemical potential-, and temperature-dependent relaxation time approximation. The lattice thermal conductivity is estimated from a model employing the ab initio phonon and Grüneisen-parameter spectrum. The main source of the large Z T is the significant power factor which correlates with a large band complexity factor. We also suggest a possible n-type dopant for the material based on ab initio calculations.
Journal
- Title
- Physical Review Materials
- Publisher
- Physical Review Materials
- Publisher Country
- United Kingdom
- Indexing
- Thomson Reuters
- Impact Factor
- 3.0
- Publication Type
- Prtinted only
- Volume
- 5
- Year
- 2021
- Pages
- 5