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Ab initio structure determination of n-diamond
A systematic computational study on the crystal structure of n-diamond has been performed using first-principle methods. A novel carbon allotrope with hexagonal symmetry R32 space group has been predicted. We name it as HR-carbon. HR-carbon composed of lonsdaleite layers and unique C(3) isosceles tr...
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| Publicat a: | Sci Rep |
|---|---|
| Autors principals: | , , , , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Nature Publishing Group
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4547140/ https://ncbi.nlm.nih.gov/pubmed/26299905 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep13447 |
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