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Termini effects on the optical properties of graphene nanoribbons

  • Claudia Cardoso
  • Andrea Ferretti
  • Deborah PrezziEmail author
Regular Article
Part of the following topical collections:
  1. Topical issue: Special issue in honor of Hardy Gross

Abstract

We investigate from first principles the optical response of finite-length armchair-edged graphene nanoribbons (AGNRs) within the framework of many-body perturbation theory. As a result of the explicit inclusion of zigzag extremities, we identify low-energy and low-intensity excitations that are expected to be almost independent of the GNR length. These excitations coexist with bulk-like excitations, which have the same origin as the ones characterizing infinite AGNRs. Our results are used to rationalize termini effects on the optical response of GNRs and to shed light on recent photoluminescence data.

References

  1. 1.
    L. Yang, C.H. Park, Y.W. Son, M.L. Cohen, S.G. Louie, Phys. Rev. Lett. 99, 186801 (2007) ADSCrossRefGoogle Scholar
  2. 2.
    D. Prezzi, D. Varsano, A. Ruini, A. Marini, E. Molinari, Phys. Rev. B 77, 041404 (2008) ADSCrossRefGoogle Scholar
  3. 3.
    S. Osella, A. Narita, M.G. Schwab, Y. Hernandez, X. Feng, K. Müllen, D. Beljonne, ACS Nano 6, 5539 (2012) CrossRefGoogle Scholar
  4. 4.
    L. Yang, M.L. Cohen, S.G. Louie, Nano Lett. 7, 3112 (2007) ADSCrossRefGoogle Scholar
  5. 5.
    L. Yang, M.L. Cohen, S.G. Louie, Phys. Rev. Lett. 101, 186401 (2008) ADSCrossRefGoogle Scholar
  6. 6.
    D. Prezzi, D. Varsano, A. Ruini, E. Molinari, Phys. Rev. B 84, 041401 (2011) ADSCrossRefGoogle Scholar
  7. 7.
    A. Narita, X. Feng, K. Müllen, Chem. Rec. 15, 295 (2015) CrossRefGoogle Scholar
  8. 8.
    A. Narita, X.Y. Wang, X. Feng, K. Müllen, Chem. Soc. Rev. 44, 6616 (2015) CrossRefGoogle Scholar
  9. 9.
    J. Cai, P. Ruffieux, R. Jaafar, M. Bieri, T. Braun, S. Blankenburg, M. Muoth, A.P. Seitsonen, M. Saleh, X. Feng, et al., Nature 466, 470 (2010) ADSCrossRefGoogle Scholar
  10. 10.
    P. Ruffieux, S. Wang, B. Yang, C. Sánchez-Sánchez, J. Liu, T. Dienel, L. Talirz, P. Shinde, C.A. Pignedoli, D. Passerone, et al., Nature 531, 489 (2016) ADSCrossRefGoogle Scholar
  11. 11.
    A. Narita, X. Feng, Y. Hernandez, S.A. Jensen, M. Bonn, H. Yang, I.A. Verzhbitskiy, C. Casiraghi, M.R. Hansen, A.H.R. Koch et al., Nat. Chem. 6, 126 (2014) CrossRefGoogle Scholar
  12. 12.
    A. Keerthi, B. Radha, D. Rizzo, H. Lu, V. Diez Cabanes, I.C.Y. Hou, D. Beljonne, J. Cornil, C. Casiraghi, M. Baumgarten, et al., J. Am. Chem. Soc. 139, 16454 (2017) CrossRefGoogle Scholar
  13. 13.
    Y. Hu, M. De Corato, A. Ruini, S. Zhao, F. Meggendorfer, L.A. Straasø, L. Rondin, P. Simon, J. Li, J. Finley, et al., J. Am. Chem. Soc. 140, 7803 (2018) CrossRefGoogle Scholar
  14. 14.
    R.A. Durr, D. Haberer, Y.L. Lee, R. Blackwell, A.M. Kalayjian, T. Marangoni, J. Ihm, S.G. Louie, F.R. Fischer, J. Am. Chem. Soc. 140, 807 (2018) CrossRefGoogle Scholar
  15. 15.
    P. Ruffieux, J. Cai, N.C. Plumb, L. Patthey, D. Prezzi, A. Ferretti, E. Molinari, X. Feng, K. Müllen, C.A. Pignedoli, et al., ACS Nano 6, 6930 (2012) CrossRefGoogle Scholar
  16. 16.
    S. Linden, D. Zhong, A. Timmer, N. Aghdassi, J.H. Franke, H. Zhang, X. Feng, K. Müllen, H. Fuchs, L. Chi, et al., Phys. Rev. Lett. 108, 216801 (2012) ADSCrossRefGoogle Scholar
  17. 17.
    Y.C. Chen, D.G. de Oteyza, Z. Pedramrazi, C. Chen, F.R. Fischer, M.F. Crommie, ACS Nano 7, 6123 (2013) CrossRefGoogle Scholar
  18. 18.
    A. Kimouche, M.M. Ervasti, R. Drost, S. Halonen, A. Harju, P.M. Joensuu, J. Sainio, P. Liljeroth, Nat. Commun. 6, 10177 (2015) ADSCrossRefGoogle Scholar
  19. 19.
    H. Zhang, H. Lin, K. Sun, L. Chen, Y. Zagranyarski, N. Aghdassi, S. Duhm, Q. Li, D. Zhong, Y. Li, et al., J. Am. Chem. Soc. 137, 4022 (2015) CrossRefGoogle Scholar
  20. 20.
    L. Talirz, H. Söde, T. Dumslaff, S. Wang, J.R. Sanchez-Valencia, J. Liu, P. Shinde, C.A. Pignedoli, L. Liang, V. Meunier, et al., ACS Nano 11, 1380 (2017) CrossRefGoogle Scholar
  21. 21.
    J. Cai, C.A. Pignedoli, L. Talirz, P. Ruffieux, H. Söde, L. Liang, V. Meunier, R. Berger, R. L, X. Feng, et al., Nat. Nanotechnol. 9, 896 (2014) ADSCrossRefGoogle Scholar
  22. 22.
    Y.C. Chen, T. Cao, C. Chen, Z. Pedramrazi, D. Haberer, D.G. de Oteyza, F.R. Fischer, S.G. Louie, M.F. Crommie, Nat. Nanotechnol. 10, 156 (2015) ADSCrossRefGoogle Scholar
  23. 23.
    P.B. Bennett, Z. Pedramrazi, A. Madani, Y.C. Chen, D.G. de Oteyza, C. Chen, F.R. Fischer, M.F. Crommie, J. Bokor, Appl. Phys. Lett. 103, 253114 (2013) ADSCrossRefGoogle Scholar
  24. 24.
    J.P. Llinas, A. Fairbrother, G. Borin Barin, W. Shi, K. Lee, S. Wu, B. Yong Choi, R. Braganza, J. Lear, N. Kau, et al., Nat. Commun. 8, 633 (2017) ADSCrossRefGoogle Scholar
  25. 25.
    R. Denk, M. Hohage, P. Zeppenfeld, J. Cai, C.A. Pignedoli, H. Söde, R. Fasel, X. Feng, K. Müllen, S. Wang et al., Nat. Commun. 5, 4253 (2014) ADSCrossRefGoogle Scholar
  26. 26.
    R. Denk, A. Lodi-Rizzini, S. Wang, M. Hohage, P. Zeppenfeld, J. Cai, R. Fasel, P. Ruffieux, R. Berger, Z. Chen, et al., Nanoscale 9, 18326 (2017) CrossRefGoogle Scholar
  27. 27.
    G. Soavi, S. Dal Conte, C. Manzoni, D. Viola, A. Narita, Y. Hu, X. Feng, U. Hohenester, E. Molinari, D. Prezzi, et al., Nat. Commun. 7, 11010 (2016) ADSCrossRefGoogle Scholar
  28. 28.
    T. Deilmann, M. Rohlfing, Nano Lett. 17, 6833 (2017) ADSCrossRefGoogle Scholar
  29. 29.
    H.E. Lim, Y. Miyata, M. Fujihara, S. Okada, Z. Liu, Arifin, K. Sato, H. Omachi, R. Kitaura, S. Irle, et al., ACS Nano 9, 5034 (2015) CrossRefGoogle Scholar
  30. 30.
    A. Narita, I.A. Verzhbitskiy, W. Frederickx, K.S. Mali, S.A. Jensen, M.R. Hansen, M. Bonn, S. De Feyter, C. Casiraghi, X. Feng, et al., ACS Nano 8, 11622 (2014) CrossRefGoogle Scholar
  31. 31.
    A.I. Chernov, P.V. Fedotov, A.V. Talyzin, I. Suarez Lopez, I.V. Anoshkin, A.G. Nasibulin, E.I. Kauppinen, E.D. Obraztsova, ACS Nano 7, 6346 (2013) CrossRefGoogle Scholar
  32. 32.
    S. Zhao, L. Rondin, G. Delport, C. Voisin, U. Beser, Y. Hu, X. Feng, K. Müllen, A. Narita, S. Campidelli, et al., Carbon 119, 235 (2017) CrossRefGoogle Scholar
  33. 33.
    S. Zhao, G. Borin Barin, L. Rondin, C. Raynaud, A. Fairbrother, T. Dumslaff, S. Campidelli, K. Müllen, A. Narita, C. Voisin, et al., Phys. Stat. Sol. B 254, 1700223 (2017) ADSCrossRefGoogle Scholar
  34. 34.
    B.V. Senkovskiy, M. Pfeiffer, S.K. Alavi, A. Bliesener, J. Zhu, S. Michel, A.V. Fedorov, R. German, D. Hertel, D. Haberer, et al., Nano Lett. 17, 4029 (2017) ADSCrossRefGoogle Scholar
  35. 35.
    M.C. Chong, N. Afshar-Imani, F. Scheurer, C. Cardoso, A. Ferretti, D. Prezzi, G. Schull, Nano Lett. 18, 175 (2018) ADSCrossRefGoogle Scholar
  36. 36.
    P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, et al., J. Phys. Condens. Matter 21, 395502 (2009) CrossRefGoogle Scholar
  37. 37.
    P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M.B. Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, et al., J. Phys. Condens. Matter 29, 465901 (2017) CrossRefGoogle Scholar
  38. 38.
    J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048 (1981) ADSCrossRefGoogle Scholar
  39. 39.
    G. Onida, L. Reining, A. Rubio, Rev. Mod. Phys. 74, 601 (2002) ADSCrossRefGoogle Scholar
  40. 40.
    R.W. Godby, R.J. Needs, Phys. Rev. Lett. 62, 1169 (1989) ADSCrossRefGoogle Scholar
  41. 41.
    F. Bruneval, X. Gonze, Phys. Rev. B 78, 085125 (2008) ADSCrossRefGoogle Scholar
  42. 42.
    M. Golor, C. Koop, T.C. Lang, S. Wessel, M.J. Schmidt, Phys. Rev. Lett. 111, 085504 (2013) ADSCrossRefGoogle Scholar
  43. 43.
    S. Wang, L. Talirz, C.A. Pignedoli, X. Feng, K. Müllen, R. Fasel, P. Ruffieux, Nat. Commun. 7, 11507 (2016) ADSCrossRefGoogle Scholar
  44. 44.
    A. Marini, C. Hogan, M. Grüning, D. Varsano, Comput. Phys. Commun. 180, 1392 (2009) ADSCrossRefGoogle Scholar
  45. 45.
    K. Nakada, M. Fujita, G. Dresselhaus, M.S. Dresselhaus, Phys. Rev. B 54, 17954 (1996) ADSCrossRefGoogle Scholar
  46. 46.
    Y.W. Son, M.L. Cohen, S.G. Louie, Phys. Rev. Lett. 97, 216803 (2006) ADSCrossRefGoogle Scholar
  47. 47.
    C. Cocchi, D. Prezzi, A. Ruini, E. Benassi, M.J. Caldas, S. Corni, E. Molinari, J. Phys. Chem. Lett. 3, 924 (2012) CrossRefGoogle Scholar

Copyright information

© EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2018
corrected publication December 2018

Authors and Affiliations

  1. 1.CNR-Nanoscience InstituteModenaItaly

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