论文标题
高压的碘分子修饰
Iodine molecule modifications with high pressure
论文作者
论文摘要
金属化和解离是高密度下的双原子分子的关键转化，对于建模巨型行星特别重要。使用X射线吸收光谱和原子建模，我们证明在卤素中，形成\ TextIt {Connected}分子结构发生在远低于金属化的压力。在这里，我们表明碘硅藻分子首先伸长了$ \ sim $ 0.007Å〜 $ p_c $ $ \ backsim $ 7〜GPA在分子之间发展债券的临界压力。然后，其长度随着压力高达15-20〜GPA而连续降低。显示了卤素的通用趋势，并允许预测氯的压力为42 $ \ pm $ 8〜GPA，用于分子键长的逆转。我们的发现解决了高压下硅藻分子相的分子不变性范式，并且可以推广到包括氢在内的宇宙中其他丰富的双原子分子。
Metallization and dissociation are key transformations in diatomic molecules at high densities particularly significant for modeling giant planets. Using X-ray absorption spectroscopy and atomistic modeling, we demonstrate that in halogens, the formation of a \textit{connected} molecular structure takes place at pressures well below metallization. Here we show that the iodine diatomic molecule first elongates of $\sim$0.007 Å~up to a critical pressure of $P_c$ $\backsim$7~GPa developing bonds between molecules. Then its length continuously decreases with pressure up to 15-20~GPa. Universal trends in halogens are shown and allow to predict for chlorine a pressure of 42$\pm$8~GPa for molecular bond-length reversal. Our findings tackle the molecule invariability paradigm in diatomic molecular phases at high pressures and may be generalized to other abundant diatomic molecules in the universe, including hydrogen.
