Journal Article

PUBDB-2016-01013

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering

Schreck, S.>Extern* ; Pietzsch, A. (Corresponding author)DESY* ; Kennedy, B. ; Såthe, C. ; Miedema, P. S. ; Techert, S.DESY* ; Strocov, V. N. ; Schmitt, T. ; Hennies, F. ; Rubensson, J.-E. ; Föhlisch, A.>Extern*

2016
Nature Publishing Group London

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Please use a persistent id in citations: doi:10.1038/srep20054

Abstract: Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O$_2$ but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

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Contributing Institute(s):

1. Strukturdynamik Chemischer Systeme (FS-SCS)

Research Program(s):

1. 6215 - Soft Matter, Health and Life Sciences (POF3-621) (POF3-621)
2. 6G3 - PETRA III (POF3-622) (POF3-622)

Experiment(s):

1. Facility (machine) PETRA III

Appears in the scientific report 2016

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Database coverage:
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