碳纳米管中三电子的关联和尺寸效应
Correlation and dimensional effects of trions in carbon nanotubes
摘要：
我们研究了碳纳米管中的单重态激子，即带电激子的结合能。这个问题是仿照，通过有效质量模型，作为一个三粒子复杂的表面上的一个圆柱体，我们调查使用一维和二维展开的波函数。详细研究了维数和相关性的影响。我们发现，Hartree-Fock近似显着低估了三子结合能。结合能带结构计算使用非正交最近邻紧束缚模型，从圆柱体模型的结果被用来计算物理结合能的碳纳米管的广泛选择。此外，还研究了对介电屏蔽的依赖性。我们的研究结果表明，在室温下，在半径小于8 nm的碳纳米管中可以检测到三离子。
英文摘要：
We study the binding energies of singlet trions, i.e. charged excitons, in carbon nanotubes. The problem is modeled, through the effective-mass model, as a three-particle complex on the surface of a cylinder, which we investigate using both one- and two-dimensional expansions of the wave function. The effects of dimensionality and correlation are studied in detail. We find that the Hartree-Fock approximation significantly underestimates the trion binding energy. Combined with band structures calculated using a non-orthogonal nearest neighbour tight binding model, the results from the cylinder model are used to compute physical binding energies for a wide selection of carbon nanotubes. In addition, the dependence on dielectric screening is examined. Our findings indicate that trions are detectable at room temperature in carbon nanotubes with radius below 8Å.
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