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A theoretical model of the static polarizability of carbon buckyonions

机译：碳buck原子静态极化率的理论模型

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摘要

A theoretical approach to determine the static dipole polarizabilities of carbon buckonions is presented. The microscopic electronic structure of thesystemis provided by an effective one-electron modeland the screening effects are treated within the random phase approximation (RPA). The particular spherical geometry of these multishell fullerenes makes possible the use of electrostatic arguments to derive a simple expression for the RPA whichgives the polarizability of the buckyonion and the dipolemoment induced on each shell in terms of either the screened or unscreened polairzabilities of the isolated shells. A systematic analysis as a function of the buckyonion size is performed. The relevance of an adequate microscopic description of the electronic structure is demonstrated by contrasting theresults provided by two different representations of the electron motion,namely a surface electron gas and a more realistic Huckel model. A comparison between our results and those derived from classical dielectric models is also performed.
机译：提出了一种确定碳双键的静态偶极极化率的理论方法。该系统的微观电子结构由有效的单电子模型提供，并且在随机相位近似（RPA）范围内处理屏蔽效果。这些多壳富勒烯的特殊球形几何形状使得可以使用静电参数来得出RPA的简单表达式，该表达式根据孤立壳的屏蔽或未屏蔽的可极化性赋予每个壳上的重金属的极化率和偶极矩。进行系统的分析，作为金银花大小的函数。通过对比电子运动的两种不同表示所提供的结果，即表面电子气和更真实的Huckel模型，可以证明对电子结构进行适当的微观描述的相关性。我们的结果与经典介电模型得出的结果也进行了比较。

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