Ultrafast soft-mode driven charge relocation in an ionic crystal
文献情報
F. Zamponi, J. Stingl, M. Woerner, T. Elsaesser
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. The results demonstrate a charge transfer from the volumes around the P-atoms and K+-ions 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.
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