dorsal/arxiv
View SchemaPrismane C_8: A New Form of Carbon?
| Authors | Leonid A. Openov, Vladimir F. Elesin |
|---|---|
| Categories | |
| ArXiv ID | physics/9811023 |
| URL | https://arxiv.org/abs/physics/9811023 |
| DOI | 10.1134/1.567936 |
| Journal | Pis'ma v ZhETF, Vol.68 (1998) pp.695-699 [JETP Lett. 68 (1998) 726-731] |
Abstract
Our numerical calculations on small carbon clusters point to the existence of a metastable three-dimensional eight-atom cluster C$_8$ which has a shape of a six-atom triangular prism with two excess atoms above and below its bases. We gave this cluster the name "prismane". The binding energy of the prismane equals to 5.1 eV/atom, i.e., is 0.45 eV/atom lower than the binding energy of the stable one-dimensional eight-atom cluster and 2.3 eV/atom lower than the binding energy of the bulk graphite or diamond. Molecular dynamics simulations give evidence for a rather high stability of the prismane, the activation energy for a prismane decay being about 0.8 eV. The prismane lifetime increases rapidly as the temperature decreases indicating a possibility of experimental observation of this cluster.
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"abstract": "Our numerical calculations on small carbon clusters point to the existence of\na metastable three-dimensional eight-atom cluster C$_8$ which has a shape of a\nsix-atom triangular prism with two excess atoms above and below its bases. We\ngave this cluster the name \"prismane\". The binding energy of the prismane\nequals to 5.1 eV/atom, i.e., is 0.45 eV/atom lower than the binding energy of\nthe stable one-dimensional eight-atom cluster and 2.3 eV/atom lower than the\nbinding energy of the bulk graphite or diamond. Molecular dynamics simulations\ngive evidence for a rather high stability of the prismane, the activation\nenergy for a prismane decay being about 0.8 eV. The prismane lifetime increases\nrapidly as the temperature decreases indicating a possibility of experimental\nobservation of this cluster.",
"arxiv_id": "physics/9811023",
"authors": [
"Leonid A. Openov",
"Vladimir F. Elesin"
],
"categories": [
"physics.atm-clus",
"cond-mat"
],
"doi": "10.1134/1.567936",
"journal_ref": "Pis\u0027ma v ZhETF, Vol.68 (1998) pp.695-699 [JETP Lett. 68 (1998)\n 726-731]",
"title": "Prismane C_8: A New Form of Carbon?",
"url": "https://arxiv.org/abs/physics/9811023"
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