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Quasi-bound atoms in collective dynamics of liquid Sb
T Bryk1,2, I-M Ilenkov1, A P Seitsonen3
1Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Street, UA-79011 Lviv, Ukraine.
Abstract:
We report anab initiosimulation 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.
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