Zhang M, Ming Y, Zeng R G, Ding Z J
Department of Physics and Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui, 230026, P.R. China.
School of Physics and Material Science, Anhui University, Hefei, Anhui, 230601, P.R. China.
J Microsc. 2015 Nov;260(2):200-7. doi: 10.1111/jmi.12283. Epub 2015 Sep 23.
We present in this work the calculation of Bohmian quantum trajectories representing the wave function propagation in a crystal for a focused electron probe in a scanning transmission electron microscope (STEM). The wave function and quantum trajectories are obtained from the calculation of time-dependent Schrödinger equation by fast Fourier transformation multislice algorithm. In our work, the Bohmian quantum trajectories of a scanning probe penetrating a Cu crystal are studied as an example of this calculation scheme. The results help us to better understand the electron diffraction process in a microscopic imaging from a trajectory-based point of view. This Bohmian quantum trajectory method can be used to extend the application of classical Monte Carlo method from the study of electron interaction with amorphous solid to crystalline structure.
在本工作中,我们展示了用于计算扫描透射电子显微镜(STEM)中聚焦电子探针在晶体中波函数传播的玻姆量子轨迹。波函数和量子轨迹通过快速傅里叶变换多层算法求解含时薛定谔方程得到。在我们的工作中,以扫描探针穿透铜晶体的玻姆量子轨迹为例研究了这种计算方案。这些结果有助于我们从基于轨迹的角度更好地理解微观成像中的电子衍射过程。这种玻姆量子轨迹方法可用于将经典蒙特卡罗方法的应用从电子与非晶固体相互作用的研究扩展到晶体结构的研究。