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Electronic structure calculations of peanut-shaped C 60 polymers
| Content Provider | Semantic Scholar |
|---|---|
| Author | Beu, Titus Adrian |
| Copyright Year | 2006 |
| Abstract | The geometrical and electronic properties of a C60 dimer (having C2h symmetry) are investigated by density functional and tight-binding calculations. The energy gap between the highest occupied and the lowest unoccupied (molecular) orbitals for the trimer and the infinite periodic polymer derived from the considered dimer continue a decreasing trend to values smaller than 0.1 eV. The very small energy gap and the extension of the highest occupied orbital provide an explanation for the observed conducting properties of electron beam irradiated C60 films. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://joam.inoe.ro/arhiva/pdf8_1/Beu.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |