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- W2029406934 abstract "The temperature dependences of the structural and electronic properties of liquid As 2 S 3 are investigated by means of ab initio molecular-dynamics simulations. It is shown that the three-dimensional network structure is transformed into a two-fold chain-like structure with increasing temperature, as was seen in the liquid As 2 Se 3 . We discuss the microscopic mechanism of the charge transfer from sulfur to arsenic atoms accompanied with the semiconductor–metal transition in these liquid mixtures." @default.
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- W2029406934 date "2005-02-15" @default.
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- W2029406934 title "Structural and Electronic Properties of Liquid Arsenic Sulfide at High Temperatures:<i>Ab Initio</i>Molecular-Dynamics Simulations" @default.
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- W2029406934 doi "https://doi.org/10.1143/jpsj.74.621" @default.
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