4 Å直径单壁纳米管的光学性质

Structural and Electronic Properties of Molecular Nanostructures. XVI International Winterschool on Electronic Properties of Novel Materials Pub Date : 2002-10-02 DOI:10.1063/1.1514122

M. Machoň, S. Reich, J. Maultzsch, P. Rafailov, C. Thomsen, D. Sánchez-Portal, P. Ordejón

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引用次数: 0

摘要

我们研究了生长在沸石晶体通道中的小直径(d≈4a)碳纳米管的电子能带结构和光吸收。通道的大小决定了纳米管的直径，并将其可能的手性限制在三个[(3,3)，(5,0)和(4,2)]。我们对所述纳米管的电子能带结构和光吸收进行了从头计算。我们讨论了我们的结果，并将其与光学和拉曼数据进行了比较。

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Optical properties of 4 Å‐diameter single‐wall nanotubes

We studied the electronic band structure and optical absorption of carbon nanotubes with small diameters (d ≈ 4 A), which grow in the channels of a zeolite crystal. The size of the channels determines the diameter of the nanotubes and restricts their possible chiralities to three [(3,3), (5,0), and (4,2)]. We performed ab initio calculations of the electronic band structure and optical absorption of the mentioned nanotubes. We discuss our results and compare them with optical and Raman data.

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Structural and Electronic Properties of Molecular Nanostructures. XVI International Winterschool on Electronic Properties of Novel Materials

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