Vibrational properties of single-wall carbon nanotubes: A first-principles study

Journal of Nanoscience and Nanotechnology

Volumn 7, Issue 6, 2007, Pages 1787-1792

  Kahaly, Mousumi Upadhyay ^a   Waghmare, Umesh V ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

Carbon nanotubes; Curvature; Density functional theory; Graphene; Isolated and bundled; Vibration

Indexed keywords

(PL) PROPERTIES; ARMCHAIR CARBON NANOTUBES; CURVATURE (SORI); DENSITY-FUNCTIONAL THEORY (DFT); EXPANSION COEFFICIENTS; FIRST PRINCIPLES STUDIES; FIRST-PRINCIPLES; GRAPHENE SHEETS; HIGH TEMPERATURE (HT); NANO TUBE; PHONON DISPERSIONS; PSEUDO POTENTIALS; QUASIHARMONIC APPROXIMATION (QHA); RADIAL BREATHING MODE (RBM); SINGLE WALL; SINGLE WALL CARBON NANOTUBES (SWCNTS); VIBRATIONAL MODE (VM); VIBRATIONAL PROPERTIES;

DENSITY FUNCTIONAL THEORY; ESTIMATION; MIXING; MOBILE TELECOMMUNICATION SYSTEMS; MOLECULAR SPECTROSCOPY; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTECHNOLOGY; NANOTUBES; PROBABILITY DENSITY FUNCTION; SINGLE-WALLED CARBON NANOTUBES (SWCN); SOLID STATE PHYSICS; THERMAL EXPANSION; THERMAL SPRAYING; THERMAL STRESS; THERMODYNAMIC PROPERTIES; WALLS (STRUCTURAL PARTITIONS);

CARBON NANOTUBES;

NANOMATERIAL;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; MACROMOLECULE; MATERIALS TESTING; METHODOLOGY; NANOTECHNOLOGY; PARTICLE SIZE; SURFACE PROPERTY; ULTRASTRUCTURE; VIBRATION;

COMPUTER SIMULATION; CRYSTALLIZATION; MACROMOLECULAR SUBSTANCES; MATERIALS TESTING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; NANOTECHNOLOGY; PARTICLE SIZE; SURFACE PROPERTIES; VIBRATION;

EID: 34547144691     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2007.716     Document Type: Conference Paper

References (17)

1. S. Ijima, Nature 354, 56 (1991).
2. A. Thess, R. Lee, P. Nikolaev, H. Dai, P. Petit, J. Robert, C. H. Xu, Y. H. Lee, S. G. Kim, A. G. Rinzler, D. T. Colbert, G. E. Scuseria, D. Tomanek, J. E. Fischer, and R. E. Smalley, Science 273, 483 (1996).
3. P. Ordejon, E. Artacho, and J. M. Solar, Phys. Rev. B 53, R10441 (1996).
4. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys. Condens. Matter 14, 2745 (2002).
5. Hendrik J. Monkhorst and James D. Pack, Phys. Rev. B 13, 5188 (1976).
6. Nicolas Mounet and Nicola Marzari, Phys. Rev. B 71, 205214 (2005).
7. O. Madelung, (ed.), Physics of Group IV and III-V Compounds, Landolt-Bornstein, New Series, Group-III, Springer-Verlag, Berlin (1982), Vol. 17a, p. 107.
8. M. H. Grimsditch and A. K. Ramdas, Phys. Rev. B 11, 313 (1975).
9. J. L. Warren, J. L. Yarnell, G. Dolling, and R. A. Cowley, Phys. Rev. 158, 805 (1967).
10. M. Hanfland, H. Beister, and K. Syassen, Phys. Rev. B 39, 12598 (1989).
11. C. Oshima, T. Aizawa, R. Souda, Y. Ishizawa, and Y. Sumiyoshi, Solid State Commun. 65, 1601 (1988).
12. R. Saito, G. Dresselhaus, and M. S. Dresselhaus, Physical Properties of Carbon Nanotubes, Imperial College Press, London (1998).
13. J. Kurti, G. Kresse, and H. Kuzmany, Phys. Rev. B 58, R8869 (1998).
14. D. Sanchez-Portal, E. Artacho, J. M. Soler, A. Rubio, and P. Ordejon, Phys. Rev. B 59, 12678 (1999).
15. Y. Kwon, S. Berber, and D. Tomanek, Phys. Rev. Lett. 92, 15901 (2004).
16. P. K. Schelling and P. Keblinski, Phys. Rev. B 68, 035425 (2003).
17. Y. Maniwa, R. Fujiwara, H. Kira, H. Tou, H. Kataura, S. Suzuki, Y. Achiba, E. Nishibori, M. Takata, M. Sakata, A Fujiwara, and H. Suematsu, Phys. Rev. B 64, 241402 (2001).