Global minimum of two-dimensional FeB6and an oxidization induced negative Poisson's ratio: a new stable allotrope

Author:

Li Jiao12345,Wei Yanpei12345,Fan Xinyu12345,Wang Hongbo12345,Song Yang12345,Chen Gang12345ORCID,Liang Yunye6785,Wang Vei910115,Kawazoe Yoshiyuki12131415

Affiliation:

1. Laboratory of Advanced Materials Physics and Nanodevices

2. School of Physics and Technology

3. University of Jinan

4. Jinan 250022

5. China

6. Department of Physics

7. Shanghai Normal University

8. Shanghai 200234

9. Department of Applied Physics

10. Xi'an University of Technology

11. Xi'an 710049

12. New Industry Creation Hatchery Center

13. Tohoku University

14. Sendai

15. Japan

Abstract

A tri-FeB6sheet with a sandwich-like structure has been found to be a novel stable two-dimensional allotrope which has remarkable mechanical properties and tunable electronic properties.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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