Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2

Author:

Atuchin V. V.12345,Liang Fei678910ORCID,Grazhdannikov S.1112345ORCID,Isaenko L. I.1112345ORCID,Krinitsin P. G.1112345ORCID,Molokeev M. S.13144515ORCID,Prosvirin I. P.1617345,Jiang Xingxing678910,Lin Zheshuai678910

Affiliation:

1. Laboratory of Optical Materials and Structures

2. Institute of Semiconductor Physics

3. SB RAS

4. Novosibirsk 630090

5. Russia

6. Key Laboratory of Functional Crystals and Laser Technology

7. Technical Institute of Physics and Chemistry

8. Chinese Academy of Sciences

9. Beijing 100190

10. China

11. Laboratory of Crystal Growth

12. Institute of Geology and Mineralogy

13. Laboratory of Functional Materials

14. Novosibirsk State University

15. Laboratory of Crystal Physics

16. Surface Science Laboratory

17. Boreskov Institute of Catalysis

Abstract

The LiGaTe2 crystals were grown by the Bridgman–Stockbarger technique and the cell parameter dependence on temperature in the range of 303–563 K was evaluated by the X-ray diffraction analysis and first principles calculations.

Funder

Russian Foundation for Basic Research

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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