Structural evolution of FeH4 under high pressure

Author:

Li Fei12345,Wang Dashuai67893ORCID,Du Henan4510113,Zhou Dan1213143,Ma Yanming123158,Liu Yanhui12345ORCID

Affiliation:

1. Beijing Computational Science Research Center

2. Beijing 10000

3. China

4. Department of Physics

5. College of Science

6. Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education)

7. College of Physics

8. Jilin University

9. Changchun

10. Yanbian University

11. Yanji 133002

12. Laboratory of Clean Energy Technology

13. Changchun University of Science and Technology

14. Changchun 130022

15. State Key Lab of Superhard Materials

Abstract

Here, we systematically investigated global energetically stable structures of FeH4 in the pressure range of 80–400 GPa using a first-principles structural search.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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