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Room temperature Peierls distortion in small diameter nanotubes

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Connetable, D Rignanese, Gian-Marco [UCL/FSA/MAPR/PCPM] Charlier, Jean-Christophe [UCL] Blase, X

By means of ab initio simulations, we investigate the phonon band structure and electron-phonon coupling in small 4-Angstrom diameter nanotubes. We show that both the C(5,0) and C(3,3) tubes undergo above room temperature a Peierls transition mediated by an acoustical long wavelength and an optical q=2k(F) phonon, respectively. In the armchair geometry, we verify that the electron-phonon coupling parameter lambda originates mainly from phonons at q=2k(F) and is strongly enhanced when the diameter decreases. These results question the origin of superconductivity in small diameter nanotubes.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2005
Language Anglais
Journal information "Physical Review Letters" - Vol. 94, no. 1 (2005)
Peer reviewed yes
Publisher American Physical Soc (College Pk)
issn 0031-9007
e-issn 1079-7114
Publication status Publié
Affiliation UCL - FSA/MAPR - Département des sciences des matériaux et des procédés
Links
  1. Tang Z. K., Superconductivity in 4 Angstrom Single-Walled Carbon Nanotubes, 10.1126/science.1060470
  2. Kociak M., Kasumov A. Yu., Guéron S., Reulet B., Khodos I. I., Gorbatov Yu. B., Volkov V. T., Vaccarini L., Bouchiat H., Superconductivity in Ropes of Single-Walled Carbon Nanotubes, 10.1103/physrevlett.86.2416
  3. González J., Consistency of Superconducting Correlations with One-Dimensional Electron Interactions in Carbon Nanotubes, 10.1103/physrevlett.87.136401
  4. Alvarez J. V., González J., Insulating, Superconducting, and Large-Compressibility Phases in Nanotube Ropes, 10.1103/physrevlett.91.076401
  5. Sédéki A., Caron L. G., Bourbonnais C., Superconductivity in armchair carbon nanotubes, 10.1103/physrevb.65.140515
  6. Kamide Kenji, Kimura Takashi, Nishida Munehiro, Kurihara Susumu, Singlet superconductivity phase in carbon nanotubes, 10.1103/physrevb.68.024506
  7. De Martino A., Egger R., Acoustic phonon exchange, attractive interactions, and the Wentzel-Bardeen singularity in single-wall nanotubes, 10.1103/physrevb.67.235418
  8. Schluter M., Lannoo M., Needels M., Baraff G. A., Tománek D., Electron-phonon coupling and superconductivity in alkali-intercalatedC60solid, 10.1103/physrevlett.68.526
  9. Benedict Lorin X., Crespi Vincent H., Louie Steven G., Cohen Marvin L., Static conductivity and superconductivity of carbon nanotubes: Relations between tubes and sheets, 10.1103/physrevb.52.14935
  10. Dubay O., Kresse G., Kuzmany H., Phonon Softening in Metallic Nanotubes by a Peierls-like Mechanism, 10.1103/physrevlett.88.235506
  11. Mintmire J. W., Dunlap B. I., White C. T., Are fullerene tubules metallic?, 10.1103/physrevlett.68.631
  12. Saito Riichiro, Fujita Mitsutaka, Dresselhaus G., Dresselhaus M. S., Electronic structure of graphene tubules based onC60, 10.1103/physrevb.46.1804
  13. Harigaya Kikuo, Fujita Mitsutaka, Dimerization structures of metallic and semiconducting fullerene tubules, 10.1103/physrevb.47.16563
  14. Huang Yuanhe, Okada Mayumi, Tanaka Kazuyoshi, Yamabe Tokio, Estimation of Peierls-transition temperature in metallic carbon nanotube, 10.1016/0038-1098(95)00529-3
  15. Tanaka Kazuyoshi, Ago Hiroki, Yamabe Tokio, Okahara Kenji, Okada Mayumi, Bond alternation in carbon nanotubes including ?-electrons, 10.1002/(sici)1097-461x(1997)63:3<637::aid-qua5>3.0.co;2-x
  16. Figge Marc Thilo, Mostovoy Maxim, Knoester Jasper, Peierls Transition with Acoustic Phonons and Solitwistons in Carbon Nanotubes, 10.1103/physrevlett.86.4572
  17. Figge Marc Thilo, Mostovoy Maxim, Knoester Jasper, Peierls instability due to the interaction of electrons with both acoustic and optical phonons in metallic carbon nanotubes, 10.1103/physrevb.65.125416
  18. Bohnen K.-P., Heid R., Liu H. J., Chan C. T., Lattice Dynamics and Electron-Phonon Interaction in (3,3) Carbon Nanotubes, 10.1103/physrevlett.93.245501
  19. Bohnen K.-P., Heid R., Liu H. J., Chan C. T., Publisher's Note: Lattice Dynamics and Electron-Phonon Interaction in(3,3)Carbon Nanotubes [Phys. Rev. Lett.93, 245501 (2004)], 10.1103/physrevlett.93.259901
  20. Troullier N., Martins José Luriaas, Efficient pseudopotentials for plane-wave calculations, 10.1103/physrevb.43.1993
  21. Baroni Stefano, de Gironcoli Stefano, Dal Corso Andrea, Giannozzi Paolo, Phonons and related crystal properties from density-functional perturbation theory, 10.1103/revmodphys.73.515
  22. Methfessel M., Paxton A. T., High-precision sampling for Brillouin-zone integration in metals, 10.1103/physrevb.40.3616
  23. Mermin N. David, Thermal Properties of the Inhomogeneous Electron Gas, 10.1103/physrev.137.a1441
  24. Blase X., Benedict Lorin X., Shirley Eric L., Louie Steven G., Hybridization effects and metallicity in small radius carbon nanotubes, 10.1103/physrevlett.72.1878
  25. Machón M., Reich S., Thomsen C., Sánchez-Portal D., Ordejón P., Ab initiocalculations of the optical properties of 4-Å-diameter single-walled nanotubes, 10.1103/physrevb.66.155410
  26. Liu H. J., Chan C. T., Properties of4Åcarbon nanotubes from first-principles calculations, 10.1103/physrevb.66.115416
  27. Kohn W., Image of the Fermi Surface in the Vibration Spectrum of a Metal, 10.1103/physrevlett.2.393
  28. Li Z. M., Tang Z. K., Siu G. G., Bozovic I., Raman characterization of 0.4 nm single-wall carbon nanotubes using the full-symmetry line group, 10.1063/1.1753066
  29. Mahan G. D., Electron–optical phonon interaction in carbon nanotubes, 10.1103/physrevb.68.125409
  30. Kawaji Hitoshi, Horie Hiro-omi, Yamanaka Shoji, Ishikawa Mitsuo, Superconductivity in the Silicon Clathrate Compound (Na,Ba)xSi46, 10.1103/physrevlett.74.1427
  31. Tanigaki K., Shimizu T., Itoh K. M., Teraoka J., Moritomo Y., Yamanaka S., Mechanism of superconductivity in the polyhedral-network compound Ba8Si46, 10.1038/nmat981
  32. Connétable D., Timoshevskii V., Masenelli B., Beille J., Marcus J., Barbara B., Saitta A. M., Rignanese G.-M., Mélinon P., Yamanaka S., Blase X., Superconductivity in Dopedsp3Semiconductors: The Case of the Clathrates, 10.1103/physrevlett.91.247001
  33. Ekimov E. A., Sidorov V. A., Bauer E. D., Mel'nik N. N., Curro N. J., Thompson J. D., Stishov S. M., Superconductivity in diamond, 10.1038/nature02449
  34. Blase X., Adessi Ch., Connétable D., Role of the Dopant in the Superconductivity of Diamond, 10.1103/physrevlett.93.237004
  35. Boeri Lilia, Kortus Jens, Andersen O. K., Three-DimensionalMgB2-Type Superconductivity in Hole-Doped Diamond, 10.1103/physrevlett.93.237002
  36. Lee K.-W., Pickett W. E., Superconductivity in Boron-Doped Diamond, 10.1103/physrevlett.93.237003
  37. Xiang H. J., Li Zhenyu, Yang Jinlong, Hou J. G., Zhu Qingshi, Electron-phonon coupling in a boron-doped diamond superconductor, 10.1103/physrevb.70.212504
  38. Piscanec S., Lazzeri M., Mauri Francesco, Ferrari A. C., Robertson J., Kohn Anomalies and Electron-Phonon Interactions in Graphite, 10.1103/physrevlett.93.185503
Bibliographic reference Connetable, D ; Rignanese, Gian-Marco ; Charlier, Jean-Christophe ; Blase, X. Room temperature Peierls distortion in small diameter nanotubes. In: Physical Review Letters, Vol. 94, no. 1 (2005)
Permanent URL http://hdl.handle.net/2078.1/39602