Liquid structure of Rb–Hg alloys studied by neutron diffraction

• Published in: Journal of non-crystalline solids 2007-10, Vol.353 (32-40), p.3022-3026
• Main Authors: Mizuno, A., Itami, T., Ferlat, G., San-Miguel, A., Jal, J.F.
• Format: Article
• Language: English
• Subjects: Chemical Sciences; Condensed matter: structure, mechanical and thermal properties; Diffraction and scattering measurements; Exact sciences and technology; Liquid alloys and liquid metals; Liquid metals and alloys; Microstructure; Modeling and simulation; Neutron diffraction/scattering; Physics; Polymers; Short-range order; Structure; Structure of solids and liquids; crystallography; Studies of specific liquid structures
• ISSN: 0022-3093; 1873-4812
• DOI: 10.1016/j.jnoncrysol.2007.05.033

The structures of liquid Rb–Hg alloys were studied as a function of composition by neutron diffraction. In the intermediate Rb concentration range, the obtained structure factors show a small prepeak, which may be an evidence of the formation of Hg polyanion units in liquids. The Reverse Monte Carlo (RMC) analysis was applied to separate the total radial distribution function into the corresponding partial radial distribution functions. Up to 10at.% Rb, no obvious changes are found for the first peak position of the partial radial distribution functions of the Hg–Hg pair and that of the Hg–Rb pair. The first peak position between the Hg–Rb pairs increases above 20at.% Rb. In addition to the first peak, a subpeak between Hg–Hg pairs can be seen in the large distance. At 60at.% Rb, the nearest neighbor distance between Hg atoms shows the closest value in the concentration range studied. These results indicate that with the progress of charge transfer the solvation structure in the dilute Rb concentration range changes into the structure containing polyanions composed of Hg species.