The degenerate Fermi gas of π electrons in fullerenes and the σ surface instabilities

被引:6
作者
Ahmad, S
Khan, SD
Manzoor, S
机构
[1] PINSTECH, Carbon Based Nanotechnol Lab, Islamabad, Pakistan
[2] Univ Karachi, Dept Phys, Karachi, Pakistan
关键词
D O I
10.1088/0957-4484/17/6/024
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
The departure from perfect spherical symmetry in the case of fullerenes (C-60 being the sole exception) induces instabilities due to the stresses generated by the pentagonal protrusions in the or-bonded surfaces. By assuming sigma-pi separability and treating pi electrons as a degenerate Fermi gas in the two shells around the central a structure, the resulting degeneracy pressures can further enhance the a-surface initiated instabilities for non-icosahedral structures (especially for those < C-60) as well as the icosahedral fullerenes (> C-60) with large protrusions. Under certain circumstances the net degeneracy pressure across the or surface may have a structure stabilizing effect. The role of the pi-electron degeneracy in a broad range of fullerenes from C-20 to C-1500 and its effects on fullerene stability are investigated.
引用
收藏
页码:1686 / 1694
页数:9
相关论文
共 57 条
[1]   ENERGETICS OF LARGE FULLERENES - BALLS, TUBES, AND CAPSULES [J].
ADAMS, GB ;
SANKEY, OF ;
PAGE, JB ;
OKEEFFE, M ;
DRABOLD, DA .
SCIENCE, 1992, 256 (5065) :1792-1795
[2]   Criteria for the growth of fullerenes and single-walled carbon nanotubes in sooting environments [J].
Ahmad, S .
NANOTECHNOLOGY, 2005, 16 (09) :1739-1745
[3]   Continuum elastic model of fullerenes and the sphericity of the carbon onion shells [J].
Ahmad, S .
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (08) :3396-3400
[4]  
ASHCROFT NW, 1976, SOLID STATE PHYS, pCH2
[5]   MNDO STUDY OF LARGE CARBON CLUSTERS [J].
BAKOWIES, D ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (10) :3704-3714
[6]   ENERGETICS FOR THE NEW FORMS OF CARBON-CLUSTERS [J].
BENNEMANN, KH ;
REICHARDT, D ;
MORANLOPEZ, JL ;
KERNER, R ;
PENSON, K .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1994, 29 (03) :231-239
[7]   A NEW TECHNIQUE FOR FULLERENE ONION FORMATION [J].
CABIOCH, T ;
RIVIERE, JP ;
DELAFOND, J .
JOURNAL OF MATERIALS SCIENCE, 1995, 30 (19) :4787-4792
[8]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[9]   Stability and Teller's theorem: Fullerenes in the March model [J].
Clougherty, DP ;
Zhu, X .
PHYSICAL REVIEW A, 1997, 56 (01) :632-635
[10]   FREE-ELECTRON WAVE FUNCTIONS FOR CONJUGATED MOLECULES [J].
COULSON, CA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1953, 66 (403) :652-655