Skip to main content
construction release_alert
Scholars@Duke will be undergoing maintenance April 11-15. Some features may be unavailable during this time.
cancel

Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations

Publication ,  Journal Article
Wang, S; Wang, Z; Setyawan, W; Mingo, N; Curtarolo, S
Published in: Physical Review X
December 1, 2011

Several thousand compounds from the Inorganic Crystal Structure Database have been considered as nanograined, sintered-powder thermoelectrics with the high-throughput ab-initio AFLOW framework. Regression analysis unveils that the power factor is positively correlated with both the electronic band gap and the carrier effective mass, and that the probability of having large thermoelectric power factors increases with the increasing number of atoms per primitive cell. venues for further investigation are revealed by this work. These avenues include the role of experimental and theoretical databases in the development of novel materials.

Duke Scholars

Published In

Physical Review X

DOI

EISSN

2160-3308

Publication Date

December 1, 2011

Volume

1

Issue

2

Start / End Page

1 / 8

Related Subject Headings

  • 51 Physical sciences
  • 0206 Quantum Physics
  • 0204 Condensed Matter Physics
  • 0201 Astronomical and Space Sciences
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Wang, S., Wang, Z., Setyawan, W., Mingo, N., & Curtarolo, S. (2011). Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations. Physical Review X, 1(2), 1–8. https://doi.org/10.1103/PhysRevX.1.021012
Wang, S., Z. Wang, W. Setyawan, N. Mingo, and S. Curtarolo. “Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations.” Physical Review X 1, no. 2 (December 1, 2011): 1–8. https://doi.org/10.1103/PhysRevX.1.021012.
Wang S, Wang Z, Setyawan W, Mingo N, Curtarolo S. Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations. Physical Review X. 2011 Dec 1;1(2):1–8.
Wang, S., et al. “Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations.” Physical Review X, vol. 1, no. 2, Dec. 2011, pp. 1–8. Scopus, doi:10.1103/PhysRevX.1.021012.
Wang S, Wang Z, Setyawan W, Mingo N, Curtarolo S. Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations. Physical Review X. 2011 Dec 1;1(2):1–8.

Published In

Physical Review X

DOI

EISSN

2160-3308

Publication Date

December 1, 2011

Volume

1

Issue

2

Start / End Page

1 / 8

Related Subject Headings

  • 51 Physical sciences
  • 0206 Quantum Physics
  • 0204 Condensed Matter Physics
  • 0201 Astronomical and Space Sciences