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- W1569553394 abstract "In this work we investigate the microscopic structure and dynamics of the molten equimolar alloy, Se(50)Te(50) using a combination of neutron and x-ray diffraction experiments, reverse Monte Carlo analysis, and first principles molecular dynamics. The range of temperatures studied covers the semiconductor/metal transition. From our results it can be seen that the latter is associated with an increase in coordination numbers and a reduced tendency to heterocoordination. In agreement with previous inelastic neutron scattering experiments, our molecular dynamics calculation predict a certain widening of the stretching vibrational modes band in connection with the increase of coordination and the presence of longer bonds in the metallic phase." @default.
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- W1569553394 date "2007-10-10" @default.
- W1569553394 modified "2023-10-16" @default.
- W1569553394 title "Microscopic structure and dynamics of molten Se50Te50 alloys" @default.
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- W1569553394 doi "https://doi.org/10.1063/1.2790899" @default.
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