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Early metallization in molecular fluids: the case of iodine

机译:分子流体中的早期金属化:碘的情况

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We report a study of structural and electronic properties of I_2 as it approaches the metallization in the fluid phase. Electronic properties have been investigated by measuring the absorption spectra of the fluid I_2 along the melting line up to 700 K, while molecular structural properties, namely molecular bond length and bond length distributions, have been determined by means of EXAFS measurements carried out across the metallization transition. The results, supported also by molecular dynamic simulations on fluid I_2 and by comparison with theoretical calculations performed on the hydrogen plasma, suggest a possible microscopic description of the metallization transition.
机译:我们报告了对I_2的结构和电子性质的研究,因为它在液相中接近金属化。通过测量沿最高700 K的熔线沿I_2的吸收光谱研究了电子性质,同时通过在整个金属化过程中进行的EXAFS测量确定了分子结构性质,即分子键长和键长分布过渡。流体I_2的分子动力学模拟以及与氢等离子体上进行的理论计算相比较也支持了该结果,这表明可能对金属化转变进行了微观描述。

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