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69
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85039523462
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note
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occ. is the number of occupied bands. In certain cases, especially for evaluating the loss function, we included more unoccupied bands in the summations
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71
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85039521466
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note
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In the irreducible wedges of the Brillouin zones of the tubes we used up to 22 k-points along the tube axis and a sufficient number of k-points along the circumferential directions
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75
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85039522581
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note
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Calculations are performed for a periodic array of nanotubes with an intertube distance of 14a.u. The absolute value of εM(ω) scales with the dimension of the employed super-cell, but we are interested only in the relative absorption cross section σ(ω) in arbitrary units. The quasi-one-dimensional Brillouin zones of the tube are sampled by 20 irreducible k-points along the tube axis
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77
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85039532576
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A.G. Marinopoulos, L. Reining, A. Rubio, V. Olevano (to be submitted)
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A.G. Marinopoulos, L. Reining, A. Rubio, V. Olevano (to be submitted). We have used up to 16464 k-points for the Brillouin-zone sums, and 121 G-vectors in the matrices. Our results are fully converged with respect to the Brillouin-zone sampling for frequencies above 1 eV. A proper evaluation of the spectra at lower frequencies for this semimetal would require an improved treatment of intraband transitions, and is beyond the scope of the present work
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79
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note
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See [53] for comparisons of the dielectric function obtained from different experiments
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82
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Thesis, University of Hamburg
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K. Zeppenfeld: Thesis, University of Hamburg (1969); J. Daniels, C. Festenberg, H. Raether, K. Zeppenfeld: Springer Tracts Mod. Phys. 54, 77 (1970)
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K. Zeppenfeld: Thesis, University of Hamburg (1969); J. Daniels, C. Festenberg, H. Raether, K. Zeppenfeld: Springer Tracts Mod. Phys. 54, 77 (1970)
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For the two-dimensional Brillouin zone of the C sheet, we use a sampling of 87 × 87 k-points; for the BN sheet, 67 × 67 k-points; the inter-sheet distance is 6.35 Å in both cases.
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90
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Model calculations for a linear array of carbon tubes also show an important shift of the higher-frequency plasmon due to intertube interaction: G. Gumbs, G.R. Aizin: Phys. Rev. B 65, 195 407 (2002)
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95
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L. Wirtz, A. Marini, V. Olevano, A.G. Marinopoulos, L. Reining, A. Rubio: work in progress
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L. Wirtz, A. Marini, V. Olevano, A.G. Marinopoulos, L. Reining, A. Rubio: work in progress
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