Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering
2016-01-29 | journal article. A publication with affiliation to the University of Göttingen.
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Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering
Schreck, S.; Pietzsch, A.; Kennedy, B.; Sathe, C.; Miedema, P. S.; Techert, S. & Strocov, V. N. et al. (2016)
Scientific Reports, 6 art. 20054. DOI: https://doi.org/10.1038/srep20054
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- Authors
- Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Sathe, Conny; Miedema, Piter S.; Techert, Simone ; Strocov, Vladimir N.; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Foehlisch, Alexander
- 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.
- Issue Date
- 29-January-2016
- Journal
- Scientific Reports
- Organization
- Fakultät für Physik ; Institut für Röntgenphysik
- Working Group
- RG Techert (Structural Dynamics in Chemical Systems)
- ISSN
- 2045-2322