Bryk T, Ilenkov I-M, Seitsonen A P
Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Street, UA-79011 Lviv, Ukraine.
Institute of Applied Mathematics and Fundamental Sciences, Lviv Polytechnic National University, UA-79013 Lviv, Ukraine.
J Phys Condens Matter. 2023 Feb 21;35(15). doi: 10.1088/1361-648X/acb8f6.
We report ansimulation and theoretical study of collective dynamics in liquid Sb at 973 K. An application of the GCM (generalized collective modes) theoretical approach to analysis of simulation-derived time correlation functions resulted in two types of propagating eigenmodes. We found that the almost flat dispersion of the high-frequency branch of propagating modes can be explained by out-of-phase oscillations of nearest neighbors which form quasi-bound atomic pairs for at least 30 ps. We discuss the features of collective dynamics in non-simple metallic melts containing quasi-bound pairs.
我们报告了在973K下液态锑中集体动力学的模拟和理论研究。将广义集体模式（GCM）理论方法应用于对模拟得出的时间关联函数的分析，得到了两种传播本征模式。我们发现，传播模式高频分支的几乎平坦的色散可以通过最近邻原子的异相振荡来解释，这些最近邻原子至少在30皮秒内形成准束缚原子对。我们讨论了含有准束缚对的非简单金属熔体中集体动力学的特征。
