Corpus ID: 189898295

Data-driven Discovery of 3D and 2D Thermoelectric Materials

@inproceedings{Choudhary2019DatadrivenDO,
  title={Data-driven Discovery of 3D and 2D Thermoelectric Materials},
  author={Kamal Choudhary and Kevin F. Garrity and Francesca Tavazza},
  year={2019}
}
In this work, we perform a systematic search for high-efficiency, three-dimensional (3D) and two-dimensional (2D) thermoelectric materials by combining semiclassical transport techniques with density functional theory (DFT) calculations. Out of 30000 three-dimensional and 900 two-dimensional materials currently in the publicly available JARVIS-DFT database, we identify 698 3D and 148 2D promising thermoelectric materials using a multi-steps screening procedure, where specific thresholds are… CONTINUE READING

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