Local structure of copper nitride revealed by EXAFS spectroscopy and a reverse Monte Carlo/evolutionary algorithm approach
Local structure of copper nitride revealed by EXAFS spectroscopy and a reverse Monte Carlo/evolutionary algorithm approach
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DOI：
10.1088/0031-8949/91/5/054003
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发表时间：
2016-04
期刊：
影响因子：
2.9
通讯作者：
J. Timoshenko;A. Anspoks;A. Kalinko;A. Kuzmin
中科院分区：
文献类型：
--
作者：
J. Timoshenko;A. Anspoks;A. Kalinko;A. Kuzmin
扩展的X射线吸收精细结构（EXAFS）光谱结合反向蒙特卡罗（RMC）和进化算法（EA）建模用于推进对氮化铜（Cu 3 N）的局部结构和晶格动力学的理解。RMC/EA-EXAFS方法提供了一种可能性，以探测相邻原子的运动相关性，并允许我们分析的各向异性运动的铜原子在Cu 3 N的影响。
Extended x-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) and evolutionary algorithm (EA) modelling is used to advance the understanding of the local structure and lattice dynamics of copper nitride (Cu3N). The RMC/EA-EXAFS method provides a possibility to probe correlations in the motion of neighboring atoms and allows us to analyze the influence of anisotropic motion of copper atoms in Cu3N.