Measured and simulated thermoelectric properties of FeAs2−xSex (x = 0.30–1.0): from marcasite to arsenopyrite structure

Author:

Perez Christopher J.12345ORCID,Devlin Kasey P.12345ORCID,Skaggs Callista M.6785ORCID,Tan Xiaoyan67859ORCID,Frank Corey E.91011125ORCID,Badger Jackson R.12345,Kang Chang-Jong13125ORCID,Emge Thomas J.91011125,Kauzlarich Susan M.12345ORCID,Taufour Valentin142345,Kotliar Gabriel13125ORCID,Lapidus Saul H.1516175,Greenblatt Martha91011125ORCID

Affiliation:

1. Department of Chemistry

2. University of California

3. One Shields Avenue

4. Davis

5. USA

6. Department of Chemistry and Biochemistry

7. George Mason University

8. Fairfax

9. Department of Chemistry and Chemical Biology

10. Rutgers

11. The State University of New Jersey

12. Piscataway

13. Department of Physics and Astronomy, Rutgers, The State University of New Jersey

14. Department of Physics and Astronomy

15. Advanced Photon Source

16. Argonne National Laboratory

17. Argonne

Abstract

FeAs2−xSex exhibits structural transition at x = 0.65, and a low lattice thermal conductivity (0.22 W m−1 K−1) at x = 0.5.

Funder

National Science Foundation

U.S. Department of Energy

College of Science, George Mason University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Chemistry (miscellaneous)

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