Interionic pair potentials and partial structure factors of compound-forming quaternary NaSn liquid alloy: First principle approach |
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Authors: | Anil Thakur P K Ahluwalia |
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Institution: | (1) Physics Department, Himachal Pradesh University, Shimla, 171 005, India |
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Abstract: | In this paper formulae for partial structure factors have been used to study partial structure factors of compound-forming
quaternary liquid alloys by considering Hoshino’s m-component hard-sphere mixture, which is based on Percus-Yevic equation
of Hiroike. Formulae are applied to NaSn (Na, Sn, NaSn, Na3Sn) which is considered as a quaternary liquid mixture with the formation of two compounds simultaneously. We have compared
the total structure factors for ternary and quaternary alloys with experimental total structure factors which are found to
be in good agreement. This suggests that, for suitable stoichiometric composition, two compounds are formed simultaneously.
The hard-sphere diameters needed have been calculated using Troullier and Martins ab-initio pseudopotentials.
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Keywords: | Liquid alloys compound quaternary ab-initio hard spheres |
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