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• W2084638249 abstract "We report high-resolution far-infrared transmittance measurements and quantum-molecular-dynamics calculations of the two-dimensional tetragonal (T) high-temperature/high-pressure ${mathrm{C}}_{60}$ polymer, as a complement to our previous work on the ${mathrm{C}}_{60}$ dimer, and the one-dimensional orthorhombic (O) and two-dimensional rhombohedral $(R){mathrm{C}}_{60}$ polymers [V. C. Long et al., Phys. Rev. B 61, 13 191 (2000)]. The spectral features are assigned as intramolecular modes according to our quantum-molecular-dynamics calculations. In addition, we determine the ${I}_{h}{mathrm{C}}_{60}$ parent symmetry of each polymer vibrational mode by expanding the calculated polymer eigenvectors in terms of our calculated eigenvectors for ${I}_{h}{mathrm{C}}_{60}.$ We find that many of the T-polymer vibrational modes are derived from more than one ${I}_{h}{mathrm{C}}_{60}$ parent symmetry, confirming that a weak perturbation model is inadequate for these covalently bonded ${mathrm{C}}_{60}$ balls. In particular, strongly infrared-active T-polymer modes with frequencies of 606 and $610{mathrm{cm}}^{ensuremath{-}1}$ are found to be derived from a linear combination of three or more ${I}_{h}{mathrm{C}}_{60}$ parent modes. As in the O and R polymers, modes of the T polymer with substantial ${T}_{1u}(2)$ character, which are polarized in the stretched directions, are found to have large downshifts. Finally, in our comparison of theory with experiment, we find indications that the in-plane lattice of the T polymer may not actually be square." @default.
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• W2084638249 date "2002-02-07" @default.
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• W2084638249 title "Far-infrared vibrational properties of tetragonal<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>polymer" @default.
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• W2084638249 doi "https://doi.org/10.1103/physrevb.65.085413" @default.
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