可极化$A$ @C $_{60}$的电子弹性散射：特殊理论下的完整研究
Electron elastic scattering off polarizable $A$@C$_{60}$: The complete study within a particular theory
摘要：
进一步研究了内嵌富勒烯$A$ @C $_{60}$的电子弹性散射。在模型和第一性原理近似相结合的框架下，研究了入射电子对包裹原子$A$和C $_{60}$笼的极化.该模型的核心原理是C $_{60}$笼本身由具有一定内径、厚度和深度的吸引球势来呈现。第一性原理近似的主要思想是，借助于Dyson方程中的入射电子格林函数的自能部分，来计算入射电子对$A$ @C $_{60}$的极化。计算并比较了以下情况：（a）当$A$ @C $_{60}$被认为是静态系统时，（b）当C $_{60}$是静态笼，但包封的原子是可极化的时，（c）当C $_{60}$和$A$两者同时但彼此独立地极化时，以及（d）作为最一般的情况，当C $_{60}$和$A$的极化率耦合时。壮观的相似性和差异之间的结果，每个利用的近似证明。揭示了$A$ @C $_{60}$极化对入射电子在$A$ @C $_{60}$上弹性散射的整体显著影响的特征。选择Ne，Nd，Ba作为“探测”原子，$e + A@{\rm C_{60}}$散射的大小和封装原子的极化率的依赖关系被解开。
英文摘要：
A deeper insight into electron elastic scattering off endohedral fullerenes $A$@C$_{60}$ is provided. The study accounts for polarization of both the encapsulated atom $A$ and C$_{60}$ cage by an incident electron. It is carried out in the framework of the combination of both a model and the first-principle approximations. A core principle of the model is that the C$_{60}$ cage itself is presented by an attractive spherical potential of a certain inner radius, thickness, and depth. The main idea of the first-principle approximation is that the polarization of $A$@C$_{60}$ by an incident electron is accounted with the help of the Dyson equation for the self-energy part of the Green's function of an incident electron. Calculations are performed for, and comparison is made between the individual cases: (a) when $A$@C$_{60}$ is regarded as a static system, (b) when C$_{60}$ is a static cage, but the encapsulated atom is polarizable, (c) when both C$_{60}$ and $A$ are polarized simultaneously but independently of each other, and (d), as the most general scenario, when polarizabilities of C$_{60}$ and $A$ are coupled. Spectacular similarities and discrepancies between results of each of the exploited approximations are demonstrated. Revealed features of the overall significant impact of $A$@C$_{60}$ polarization by an incident electron on its elastic scattering off $A$@C$_{60}$ are demonstrated. Choosing Ne, Xe, and Ba as "probing" atoms, the dependence of $e + A@{\rm C_{60}}$ scattering on the size and polarizability of the encapsulated atom is unraveled.
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