Title: Revisiting anomalous structures in liquid Ga
Authors: Tsai, K. H.
Wu, Ten-Ming
Tsay, Shiow-Fon
物理研究所
Institute of Physics
Keywords: bond lengths;gallium;liquid metals;potential energy functions
Issue Date: 21-Jan-2010
Abstract: In terms of an interatomic pair potential, which well characterizes the dynamic properties of liquid Ga, we investigate again the origin of the well known high-q shoulder in the static structure factor of the liquid. Similar to the results of Gong's simulation at high temperature, dimers with extremely short bond lengths are indeed found in our model just above the melting point, but our results indicate that it is unlikely for the high-q shoulder to be produced by these dimers. Instead, based on our model, the high-q shoulder is resulted from some medium-range order, which is related to the structures beyond the first shell of the radial distribution function, caused by Friedel oscillations within a nanoscale range.
URI: http://dx.doi.org/10.1063/1.3294565
http://hdl.handle.net/11536/5955
ISSN: 0021-9606
DOI: 10.1063/1.3294565
Journal: JOURNAL OF CHEMICAL PHYSICS
Volume: 132
Issue: 3
End Page: 
Appears in Collections:Articles


Files in This Item:

  1. 000273890800025.pdf