Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study

Author:

Zhang Keqing1,Zhang Lijun1,Saravana Karthikeyan S. K. S.2ORCID,Kong Chang Yi23ORCID,Zhang Fuchun4,Guo Xiang5,Dang Nam Nguyen67ORCID,Ramaraj Sankar Ganesh89ORCID,Liu Xinghui510ORCID

Affiliation:

1. School of Chemical Engineering, Henan Technical Institute, Zhengzhou, Henan, 450042, P. R. China

2. Department of Environment and Energy System, Graduate School of Science and Technology, Shizuoka University, 3-5-1 Johoku, Naka-ku, Hamamatsu 432-8561, Japan

3. Department of Applied Chemistry and Biochemical Engineering, Faculty of Engineering, Shizuoka University, 3-5-1 Johoku, Naka-ku, Hamamatsu 432-8561, Japan

4. School of Physics and Electronic Information, Yan'an University, Yan'an, 716000, China

5. Science and Technology on Aerospace Chemical Power Laboratory, Hubei Institute of Aerospace Chemotechnology, Xiangyang 441003, Hubei, China

6. Future Materials & Devices Lab., Institute of Fundamental and Applied Sciences, Duy Tan University, Ho Chi Minh City, Vietnam

7. The Faculty of Environmental and Chemical Engineering, Duy Tan University, Danang, Vietnam

8. Department of Bioengineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan

9. Department of Materials Physics, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences (SIMTS), Thandalam, Chennai – 602105, Tamilnadu, India

10. Division of Research and Development, Lovely Professional University, Phagwara, 144411, India

Abstract

The thermal conductivity values of CAIC and CASC compounds exhibit quantum mechanical characteristics, with values of 0.075 and 0.25 W m−1 K−1, respectively, at 300 K.

Funder

National Natural Science Foundation of China

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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