Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials
Abstract Polysilyne with repeating disilyne units, a silicon analogue of polyacetylene, has a high potential for application to various novel silicon-based electronic devices because of the unique properties of Si=Si units with a smaller HOMO–LUMO energy gap than that of C=C units. However, one-dime...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2023-08-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-40481-2 |
| _version_ | 1797576975414460416 |
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| author | Masae Takahashi |
| author_facet | Masae Takahashi |
| author_sort | Masae Takahashi |
| collection | DOAJ |
| description | Abstract Polysilyne with repeating disilyne units, a silicon analogue of polyacetylene, has a high potential for application to various novel silicon-based electronic devices because of the unique properties of Si=Si units with a smaller HOMO–LUMO energy gap than that of C=C units. However, one-dimensional (1D) polysilyne has not been synthesized yet. Here we propose a planar and air-stable two-dimensional (2D) silicon-based material with one-atom thickness consisting of beryllium-bridged 1D all-trans polysilyne, based on the first-principles calculations. The flat structure of 1D polysilyne, which is essential for the air stability of silicon π-electron conjugated systems, is realized by embedding polysilyne in a planar sheet. It was found that the 2D crystal optimized at the rhombus unit cell with the D 2h group symmetry is a silicon-based Dirac semimetal with linear dispersion at the Fermi energy and hosts anisotropic Dirac fermions. |
| first_indexed | 2024-03-10T22:01:23Z |
| format | Article |
| id | doaj.art-624b71ea92034936bb81e627ad682de6 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-10T22:01:23Z |
| publishDate | 2023-08-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-624b71ea92034936bb81e627ad682de62023-11-19T12:55:57ZengNature PortfolioScientific Reports2045-23222023-08-0113111010.1038/s41598-023-40481-2Polysilyne chains bridged with beryllium lead to flat 2D Dirac materialsMasae Takahashi0Department of Physics, Graduate School of Science, Tohoku UniversityAbstract Polysilyne with repeating disilyne units, a silicon analogue of polyacetylene, has a high potential for application to various novel silicon-based electronic devices because of the unique properties of Si=Si units with a smaller HOMO–LUMO energy gap than that of C=C units. However, one-dimensional (1D) polysilyne has not been synthesized yet. Here we propose a planar and air-stable two-dimensional (2D) silicon-based material with one-atom thickness consisting of beryllium-bridged 1D all-trans polysilyne, based on the first-principles calculations. The flat structure of 1D polysilyne, which is essential for the air stability of silicon π-electron conjugated systems, is realized by embedding polysilyne in a planar sheet. It was found that the 2D crystal optimized at the rhombus unit cell with the D 2h group symmetry is a silicon-based Dirac semimetal with linear dispersion at the Fermi energy and hosts anisotropic Dirac fermions.https://doi.org/10.1038/s41598-023-40481-2 |
| spellingShingle | Masae Takahashi Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials Scientific Reports |
| title | Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials |
| title_full | Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials |
| title_fullStr | Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials |
| title_full_unstemmed | Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials |
| title_short | Polysilyne chains bridged with beryllium lead to flat 2D Dirac materials |
| title_sort | polysilyne chains bridged with beryllium lead to flat 2d dirac materials |
| url | https://doi.org/10.1038/s41598-023-40481-2 |
| work_keys_str_mv | AT masaetakahashi polysilynechainsbridgedwithberylliumleadtoflat2ddiracmaterials |