Understanding and manipulating the intrinsic point defect in α-MgAgSb for higher thermoelectric performance

Author:

Liu Zihang12345,Geng Huiyuan6345,Mao Jun7891011,Shuai Jing78910,He Ran78910,Wang Chao1213145,Cai Wei12345,Sui Jiehe12345,Ren Zhifeng78910

Affiliation:

1. National Key Laboratory for Precision Hot Processing of Metals

2. School of Materials Science and Engineering

3. Harbin Institute of Technology

4. Harbin 150001

5. China

6. State Key Laboratory of Advanced Welding and Joining

7. Department of Physics and TcSUH

8. University of Houston

9. Houston

10. USA

11. Department of Mechanical Engineering

12. State Key Lab of Electronic Thin Film and Integrated Device

13. University of Electric Science and Technology of China

14. Chengdu 611731

Abstract

Thorough first-principles calculations reveal that an Ag vacancy is the dominant intrinsic point defect in α-MgAgSb. Point-defect engineering can be realized via rationally controlling the hot press temperature due to the recovery effect.

Funder

U.S. Department of Energy

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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