ARE FULLERENE TUBULES METALLIC

被引:1958
作者
MINTMIRE, JW
DUNLAP, BI
WHITE, CT
机构
[1] Naval Research Laboratory, Washington
关键词
D O I
10.1103/PhysRevLett.68.631
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We have calculated the electronic structure of a fullerene tubule using a first-principles, self-consistent, all-electron Gaussian-orbital based local-density-functional approach. Extending these results to a model containing an electron-lattice interaction, we estimate that the mean-field transition temperature from a Peierls-distorted regime to a high-temperature metallic regime should be well below room temperature. Such fullerene tubules should have the advantages (compared to other conjugated carbon systems) of a carrier density similar to that of metals and zero band gap at room temperature.
引用
收藏
页码:631 / 634
页数:4
相关论文
共 23 条
[1]   CHARACTERIZATION OF THE SOLUBLE ALL-CARBON MOLECULES C60 AND C70 [J].
AJIE, H ;
ALVAREZ, MM ;
ANZ, SJ ;
BECK, RD ;
DIEDERICH, F ;
FOSTIROPOULOS, K ;
HUFFMAN, DR ;
KRATSCHMER, W ;
RUBIN, Y ;
SCHRIVER, KE ;
SENSHARMA, D ;
WHETTEN, RL .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (24) :8630-8633
[2]   FULLERENES WITH METALS INSIDE [J].
CHAI, Y ;
GUO, T ;
JIN, CM ;
HAUFLER, RE ;
CHIBANTE, LPF ;
FURE, J ;
WANG, LH ;
ALFORD, JM ;
SMALLEY, RE .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (20) :7564-7568
[3]  
DRESSELHAUS MS, COMMUNICATION
[4]   SELF-CONSISTENT APPROXIMATION TO HUBBARD-MODEL [J].
ECONOMOU, EN ;
WHITE, CT .
PHYSICAL REVIEW LETTERS, 1977, 38 (06) :289-292
[5]   2D NUCLEAR-MAGNETIC-RESONANCE STUDY OF THE STRUCTURE OF THE FULLERENE C70 [J].
JOHNSON, RD ;
MEIJER, G ;
SALEM, JR ;
BETHUNE, DS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (09) :3619-3621
[6]   C-60 HAS ICOSAHEDRAL SYMMETRY [J].
JOHNSON, RD ;
MEIJER, G ;
BETHUNE, DS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (24) :8983-8984
[7]   SOLID C-60 - A NEW FORM OF CARBON [J].
KRATSCHMER, W ;
LAMB, LD ;
FOSTIROPOULOS, K ;
HUFFMAN, DR .
NATURE, 1990, 347 (6291) :354-358
[8]   THE INFRARED AND ULTRAVIOLET-ABSORPTION SPECTRA OF LABORATORY-PRODUCED CARBON DUST - EVIDENCE FOR THE PRESENCE OF THE C-60 MOLECULE [J].
KRATSCHMER, W ;
FOSTIROPOULOS, K ;
HUFFMAN, DR .
CHEMICAL PHYSICS LETTERS, 1990, 170 (2-3) :167-170
[9]   C-60 - BUCKMINSTERFULLERENE [J].
KROTO, HW ;
HEATH, JR ;
OBRIEN, SC ;
CURL, RF ;
SMALLEY, RE .
NATURE, 1985, 318 (6042) :162-163
[10]   THEORY OF PEIERLS INSTABILITY IN TIGHT-BINDING QUASI ONE-DIMENSIONAL SOLIDS [J].
MADHUKAR, A .
SOLID STATE COMMUNICATIONS, 1974, 15 (05) :921-924