Back to Search
Start Over
Thermoelectric transport properties of orthorhombic RbBaX (X = Sb, Bi) with strong anharmonicity.
- Source :
-
Journal of Chemical Physics . 1/7/2023, Vol. 158 Issue 1, p1-10. 10p. - Publication Year :
- 2023
-
Abstract
- The thermoelectric properties of RbBaX (X = Sb, Bi), an anisotropic material with strong anharmonicity, are systematically studied by first-principles calculations, combined with the self-consistent phonon theory and the Boltzmann transport equation. A reasonable lattice thermal conductivity κL is captured by fully handling the phonon frequency shift and four-phonon scattering caused by the quartic anharmonicity. The κL of RbBaSb and RbBaBi along the a-axis is only 0.60 and 0.36 W m−1 K−1 at 300 K, respectively, which is much lower than that of most thermoelectric materials. The low phonon group velocity resulting from the unusually weak atomic bonding strengths along the a-axis is the origin of the ultralow κL. Furthermore, the high dispersion near the conduction band minimum enables n-type doping with a higher electrical conductivity. The results show that orthorhombic RbbaBi has a ZT as high as 1.04 at 700 K along the a-axis direction, indicating its great application potential in the thermoelectric field. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 158
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 161194033
- Full Text :
- https://doi.org/10.1063/5.0135207