| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Alloys and Compounds for Thermoelectric and Solar Cell Applications VIII
|
| Presentation Title |
Ab initio Calculations of Thermoelectric Materials |
| Author(s) |
Laurent Chaput |
| On-Site Speaker (Planned) |
Laurent Chaput |
| Abstract Scope |
Since the last few years it has been possible to obtain the lattice thermal conductivity of semiconductors and insulators from first principle calculations, with good accuracy.
We have recently developed a computational method that allow computing the electron-phonon interactions efficiently. This allow obtaining the electronic contributions to the thermoelectric figure of merit from first principles as well. Several example along those lines will be investigated, and the current status of ab initio calculations for thermoelectricity will be discussed. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |