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Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson’s ratio
Open accessAbstract
Designing new materials with novel topological properties and reduced dimensionality is always desirable for material innovation. Here we report the design of a two-dimensional material, namely Be 5 C 2 monolayer on the basis of density functional theory computations. In Be 5 C 2 monolayer, each carbon atom binds with five beryllium atoms in almost the same plane, forming a quasi-planar pentacoordinate carbon moiety. Be 5 C 2 monolayer appears to have good stability as revealed by its moderate cohesive energy, positive phonon modes and high melting point. It is the lowest-energy structure with the Be 5 C 2 stoichiometry in two-dimensional space and therefore holds some promise to be realized experimentally. Be 5 C 2 monolayer is a gapless semiconductor with a Dirac-like point in the band structure and also has an unusual negative Poisson’s ratio. If synthesized, Be 5 C 2 monolayer may find applications in electronics and mechanics.
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Metadata
- Authors
- Wang, Y., Li, F., Li, Y., & Chen, Z.
- Venue
- Nature Communications
- Published
- 2016-05-03
- Volume
- 7
- Issue
- 1
- Pages
- 11488-11488
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W2345330270
- Cited by
- 328
- References
- 53
- FWCI
- 15.57
- Type
- journal article
- Language
- en
- Open access
- gold
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