Dwyer C
Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Jülich D-52425, Germany; Peter Grünberg Institute, Forschungszentrum Jülich, Jülich D-52425, Germany.
Ultramicroscopy. 2015 Apr;151:68-77. doi: 10.1016/j.ultramic.2014.11.007. Epub 2014 Nov 14.
The inelastic scattering of a high-energy electron in a solid constitutes a bipartite quantum system with an intrinsically large number of excitations, posing a considerable challenge for theorists. It is demonstrated how and why the utilization of symmetries, or approximate symmetries, can lead to significant improvements in both the description of the scattering physics and the efficiency of numerical computations. These ideas are explored thoroughly for the case of core-loss excitations, where it is shown that the coupled angular momentum basis leads to dramatic improvements over the bases employed in previous work. The resulting gains in efficiency are demonstrated explicitly for K-, L- and M-shell excitations, including such excitations in the context of atomic-resolution imaging in the scanning transmission electron microscope. The utilization of other symmetries is also discussed.
高能电子在固体中的非弹性散射构成了一个具有大量固有激发的二分量子系统,这给理论学家带来了相当大的挑战。本文展示了如何以及为何利用对称性或近似对称性能够在散射物理的描述以及数值计算效率方面带来显著提升。针对芯损激发的情况对这些想法进行了深入探讨,结果表明,耦合角动量基相对于先前工作中使用的基有显著改进。在K、L和M壳层激发中明确展示了由此带来的效率提升,包括在扫描透射电子显微镜的原子分辨率成像背景下的此类激发。还讨论了其他对称性的利用。