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Issue 18, 2012
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Ultrafast soft-mode driven charge relocation in an ionic crystal

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Abstract

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.

Graphical abstract: Ultrafast soft-mode driven charge relocation in an ionic crystal

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Publication details

The article was received on 21 Dec 2011, accepted on 07 Mar 2012 and first published on 22 Mar 2012


Article type: Communication
DOI: 10.1039/C2CP24072F
Citation: Phys. Chem. Chem. Phys., 2012,14, 6156-6159
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    Ultrafast soft-mode driven charge relocation in an ionic crystal

    F. Zamponi, J. Stingl, M. Woerner and T. Elsaesser, Phys. Chem. Chem. Phys., 2012, 14, 6156
    DOI: 10.1039/C2CP24072F

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