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Ultrafast charge relocation in an ionic crystal probed by femtosecond x-ray powder diffraction

机译:飞秒X射线粉末衍射探测离子晶体中的超快速电荷重定位

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Transient electron density maps of potassium dihydrogen phosphate(KH2PO4, KDP) are derived from femtosecond x-ray powder diffraction patterns. Upon photoexcitation, the low-frequency TO soft mode is elongated impulsively and modulates the electronic charge distribution on the length scale of interatomic distances, much larger than the vibrational amplitude of the nuclear motion. The results demonstrate a charge transfer from the volumes around the P-atoms to those containing the O—H···O units and a quadrupolar distortion of the K+ charge distribution. This behavior reflects the interplay of nuclear motions and electric polarizations in the ionic crystal lattice.
机译:磷酸二氢钾(KH2PO4,KDP)的瞬态电子密度图由飞秒X射线粉末衍射图得出。在光激发时,低频TO软模式被脉冲式拉长,并在原子间距离的长度尺度上调节电子电荷分布,该距离远大于核运动的振动幅度。结果表明电荷从P原子周围的体积转移到包含OH···O单元的体积以及K +电荷分布的四极畸变。此行为反映了离子晶体晶格中核运动和极化的相互作用。

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