Room temperature Peierls distortion in small diameter nanotubes -: art. no. 015503

被引:116
作者
Connétable, D
Rignanese, GM
Charlier, JC
Blase, X
机构
[1] CNRS, LPMCN, F-69622 Villeurbanne, France
[2] Univ Lyon 1, F-69622 Villeurbanne, France
[3] Univ Catholique Louvain, Unite Physicochim & Phys Mat, B-1348 Louvain, Belgium
[4] Univ Catholique Louvain, Res Ctr Microscop & Nanoscop Elect Devices & Mat, B-1348 Louvain, Belgium
关键词
D O I
10.1103/PhysRevLett.94.015503
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
引用
收藏
页数:4
相关论文
共 41 条
[1]   Insulating, superconducting, and large-compressibility phases in nanotube ropes -: art. no. 076401 [J].
Alvarez, JV ;
González, J .
PHYSICAL REVIEW LETTERS, 2003, 91 (07) :764011-764014
[2]  
BARNETT RN, IN PRESS PHYS REV B
[3]   Phonons and related crystal properties from density-functional perturbation theory [J].
Baroni, S ;
de Gironcoli, S ;
Dal Corso, A ;
Giannozzi, P .
REVIEWS OF MODERN PHYSICS, 2001, 73 (02) :515-562
[4]   STATIC CONDUCTIVITY AND SUPERCONDUCTIVITY OF CARBON NANOTUBES - RELATIONS BETWEEN TUBES AND SHEETS [J].
BENEDICT, LX ;
CRESPI, VH ;
LOUIE, SG ;
COHEN, ML .
PHYSICAL REVIEW B, 1995, 52 (20) :14935-14940
[5]   HYBRIDIZATION EFFECTS AND METALLICITY IN SMALL RADIUS CARBON NANOTUBES [J].
BLASE, X ;
BENEDICT, LX ;
SHIRLEY, EL ;
LOUIE, SG .
PHYSICAL REVIEW LETTERS, 1994, 72 (12) :1878-1881
[6]   Role of the dopant in the superconductivity of diamond -: art. no. 237004 [J].
Blase, X ;
Adessi, C ;
Connétable, D .
PHYSICAL REVIEW LETTERS, 2004, 93 (23)
[7]   Three-dimensional MgB2-type superconductivity in hole-doped diamond -: art. no. 237002 [J].
Boeri, L ;
Kortus, J ;
Andersen, OK .
PHYSICAL REVIEW LETTERS, 2004, 93 (23)
[8]   Lattice dynamics and electron-phonon interaction in (3,3) carbon nanotubes [J].
Bohnen, KP ;
Heid, R ;
Liu, HJ ;
Chan, CT .
PHYSICAL REVIEW LETTERS, 2004, 93 (24)
[9]   Lattice dynamics and electron-phonon interaction in (3,3) carbon nanotubes (vol 93, art no 245501, 2004) [J].
Bohnen, KP ;
Heid, R ;
Liu, HJ ;
Chan, CT .
PHYSICAL REVIEW LETTERS, 2004, 93 (25)
[10]   Superconductivity in doped sp3 semiconductors:: The case of the clathrates -: art. no. 247001 [J].
Connétable, D ;
Timoshevskii, V ;
Masenelli, B ;
Beille, J ;
Marcus, J ;
Barbara, B ;
Saitta, AM ;
Rignanese, GM ;
Mélinon, P ;
Yamanaka, S ;
Blase, X .
PHYSICAL REVIEW LETTERS, 2003, 91 (24)