A simple tight-binding model for typical graphyne structures
A π -electronic tight-binding (TB) model with, at most, three independent parameters is found to well fit the density functional theory results about the dispersions of the conduction and valence bands of α -, β -, γ - and (6,6,12)-graphyne. By means of such a toy model, the electron–hole symmetry i...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2012-01-01
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| Series: | New Journal of Physics |
| Online Access: | https://doi.org/10.1088/1367-2630/14/11/113007 |