Theoretical Simulation of the Temporal Behavior of Bragg Diffraction Derived from Lattice Deformation
Cong Guo1,2, Shuai-Shuai Sun2, Lin-Lin Wei2, Huan-Fang Tian2, Huai-Xin Yang2,3, Shu Gao1, Yuan Tan1, and Jian-Qi Li2,3,4*
1School of Physics and Information Engineering & Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, Jianghan University, Wuhan 430056, China 2Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China 3School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China 4Collaborative Innovation Center of Quantum Matter, Beijing 100190, China
Abstract：A theoretical study on the structural dynamics of the temporal behavior of Bragg diffraction is presented and compared with experimental results obtained via ultrafast electron crystallography. In order to describe the time-dependent lattices and calculate the Bragg diffraction intensity, we introduce the basic vector offset matrix, which can be used to quantify the shortening, lengthening and rotation of the three lattice vectors (i.e., lattice deformation). Extensive simulations are performed to evaluate the four-dimensional electron crystallography model. The results elucidate the connection between structural deformations and changes in diffraction peaks, and sheds light on the quantitative analysis and comprehensive understanding of the structural dynamics.
2020, Vol. 37 
