Addition energies of fullerenes and carbon nanotubes as quantum dots: the role of symmetry.
Addition energies of fullerenes and carbon nanotubes as quantum dots: the role of symmetry.
复制标题
富勒烯和碳纳米管作为量子点的加成能：对称性的作用。
DOI：
10.1103/physrevlett.91.116803
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发表时间：
2003
影响因子：
8.6
通讯作者：
Weitao Yang
中科院分区：
文献类型：
--
作者：
S. Ke;H. Baranger;Weitao Yang
利用密度泛函理论计算，我们研究了由富勒烯或封闭单壁碳纳米管形成的量子点的加成能（AE）。我们关注 AE 谱中对称性和振荡之间的联系。在高度对称的富勒烯中，由于大的能级简并性和洪德定律，振荡周期很大。对于长纳米管，AE 振荡是四倍。添加缺陷会破坏管子的空间对称性，只留下自旋简并；相应地，四重行为被破坏，留下相当稳健的偶/奇行为。我们使用对称性结果来解释最近的实验。
Using density-functional theory calculations, we investigate the addition energy (AE) of quantum dots formed of fullerenes or closed single-wall carbon nanotubes. We focus on the connection between symmetry and oscillations in the AE spectrum. In the highly symmetric fullerenes the oscillation period is large because of the large level degeneracy and Hund's rule. For long nanotubes, the AE oscillation is fourfold. Adding defects destroys the spatial symmetry of the tubes, leaving only spin degeneracy; correspondingly, the fourfold behavior is destroyed, leaving an even/odd behavior which is quite robust. We use our symmetry results to explain recent experiments.