Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking

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Ortiz, Yenni P. ; Stegmann, Thomas ; Klein, Douglas J. ; Seligman, Thomas H. (2016)
  • Related identifiers: doi: 10.1016/j.cplett.2017.06.033
  • Subject: Physics - Chemical Physics
    arxiv: Physics::Atomic Physics | Condensed Matter::Materials Science | Physics::Atomic and Molecular Clusters | Condensed Matter::Soft Condensed Matter | Physics::Chemical Physics

We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. We found that the spectra of the vibrational modes distinguish the different configurations. For more regular adsorption schemes the lowest states are bending and torsion modes of the skeleton, which are essentially followed by the adsorbate. On poly-p-phenylenes we found that lithium adsorption reduces and often eliminates the torsion between rings thus increasing symmetry. There is spontaneous symmetry breaking in poly-p-phenylenes due to double adsorption of lithium atoms on alternating rings.
  • References (4)

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    [2] Y. Ortiz, Consecuencias geometricas y dinamicas de la multiple adsorcion de litio y otros alcalineos en poliacenos, poli-para-fenilenos y hojuelas de grafeno, Ph.D. thesis, Universidad Nacional Auto´noma de Me´xico (2014).

    [3] A. Jalbout, Y. Ortiz, T. Seligman, Spontaneous symmetry breaking and strong deformations in metal adsorbed graphene sheets, Chemical Physics Letters 564 (0) (2013) 69 - 72.

    [4] Y. P. Ortiz, D. J. Klein, T. H. Seligman, Lithium adsorbtion on polyacenes & zig-zag-edge graphene strips, https://arxiv.org/abs/ 1603.09308.

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