Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

MM: Fachverband Metall- und Materialphysik

MM 16: Transport - Heat Transport and Thermoelectricity

MM 16.4: Vortrag

Montag, 16. März 2020, 17:45–18:00, IFW A

Thermoelectricity in high-valley multiplicity materials — Roberta Farris¹, Francesco Ricci², Geoffroy Hautier², Gian-Marco RIgnanese², and •Vincenzo Fiorentini¹ — ¹Dip. di Fisica, Università di Cagliari, Italy — ²University of Louvain-la-Neuve, Belgium

We present a detailed theoretical study of two promising thermoelectrics, LaSO and YB4Mo, which turn out to have a large multiplicity and band complexity factor from a data mining search on a large electronic-structure database. Bands are computed ab initio and transport is studied in the Bloch-Boltzmann approximation; lattice thermal is modeled from the ab initio harmonic spectrum. The two materials reach a ZT of over 2 at typical temperatures.