Achieving band convergence by tuning the bonding ionicity in n‐type Mg 3 Sb 2-Reference-Cited by-同舟云学术

Achieving band convergence by tuning the bonding ionicity in n‐type Mg 3 Sb 2

Published:2019-03-19 Issue:18 Volume:40 Page:1693-1700
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Sun Xin¹,Li Xin¹,Yang Jiong¹^ORCID,Xi Jinyang¹,Nelson Ryky²,Ertural Christina²,Dronskowski Richard²^ORCID,Liu Weishu³,Snyder Gerald J.⁴^ORCID,Singh David J.⁵,Zhang Wenqing⁶

Affiliation:

1. Materials Genome InstituteShanghai UniversityNo. 99 Shangda Road, Shanghai, 200444China

2. Chair of Solid‐State and Quantum ChemistryInstitute of Inorganic Chemistry and Jülich‐Aachen Research Alliance (JARA‐HPC), RWTH Aachen UniversityD‐52056 AachenGermany

3. Department of Materials Science and Engineering Southern University of Science and Technology No. 1088 Xueyuan Road, Shenzhen Guangdong, 518055 China

4. Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208

5. Department of Physics and Astronomy University of Missouri Columbia Missouri 65211

6. Department of Physics and Shenzhen Institute for Quantum Science & Technology Southern University of Science and Technology No. 1088 Xueyuan Road, Shenzhen Guangdong, 518055 China

Funder

National Natural Science Foundation of China

U.S. Department of Energy

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25822

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1. On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

2. Recent advances in thermoelectric nanocomposites