Nearly-free-electron effective model for conducting nanotubes

被引:8
作者
Cordeiro, C. E. [1 ]
Delfino, A. [1 ]
Frederico, T. [2 ]
机构
[1] Univ Fed Fluminense, Inst Fis, BR-24210340 Rio De Janeiro, Brazil
[2] Inst Tecnol & Aeronaut, Dept Fis, BR-12228900 Sao Jose Dos Campos, Brazil
来源
PHYSICAL REVIEW B | 2009年 / 79卷 / 03期
基金
巴西圣保罗研究基金会;
关键词
chemical potential; electron-electron interactions; electronic density of states; fermion systems; fluctuations; HF calculations; nanotubes; SCF calculations; thermodynamics; work function; WALLED CARBON NANOTUBES; DENSITY-OF-STATES; WORK-FUNCTIONS; SINGLE; BUNDLES; ENERGY;
D O I
10.1103/PhysRevB.79.035417
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We study a nonrelativistic quantum-field-theory model of a many-fermion system on a small cylindrical surface. An attractive contact effective two-body interaction is assumed to permit binding of fermions on the surface. We treat the many-fermion system within mean-field thermodynamics. A self-consistent Hartree-Fock calculation is performed and the total energy, pressure, and chemical potential are investigated in a thermodynamically consistent way. The model is applied to study the electronic properties of metallic single-walled nanotubes (SWNTs). We derive an analytical relation for the single-particle energy separation between two consecutive spikes provoked by Van Hove singularities in the density of states. We also found that the effective electron-electron interaction is necessary to reproduce the experimental fluctuation of the work function as a function of the diameter of SWNTs. The experimental distribution of the work functions with radius presents a nontrivial left-right asymmetry around the peak value that is reproduced by the model. Also, for SWNTs with radius smaller than 2 A, the model gives a work function that increases linearly with 1/R.
引用
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页数:11
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