Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session X47: Thermoelectrics -- First-principles Simulation
8:00 AM–11:00 AM,
Friday, March 8, 2019
BCEC Room: 213
Sponsoring Unit: DMP
Chair: Keivan Esfarjani, University of Virginia
Abstract: X47.00012 : First principles study on the thermoelectric properties of delafossite compounds
10:36 AM–10:48 AM
Recently, PtCoO2 has been found to possess extremely small resistivity and high mobility. The electronic band structure of PtCoO2 exhibits the pudding mold type shape, which suggests the possibility to possess large thermoelectric performance. We study the thermoelectric properties of PtCoO2 from first principles calculations within the Boltzmann transport theory and the rigid band approximation. It is found that the power factor can be enhanced due to high mobility by controlling the carrier concentration.
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