Dresden 2026 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 14: Liquid and Amorphous Materials I
MM 14.5: Talk
Tuesday, March 10, 2026, 12:30–12:45, SCH/A315
Unraveling the Correlation Between Populated Site Energies, Activation Barriers and Saddle Point Energies in Solid Ion Conductors — •Martin Schäfer1, Mohammad A. Badragheh2, Michael Vogel2, and Karl-Michael Weitzel1 — 1Universität Marburg, Marburg, Germany — 2T.U. Darmstadt, Darmstadt, Germany
Transport phenomena in disordered materials are governed by a complex potential energy landscape that includes a distribution of local energy minima (sites), saddle point energies and local energy barriers. An understanding of the connection of these properties is essential to unravel the transition between local hops and long-range transport.
In this work, the populated site energy distribution (PSED) is experimentally determined by the Charge Attachment Induced Transport (CAIT) technique that yields concentration dependent diffusion coefficients and activation energies by comparison of measured concentration depth profiles to calculated profiles gained by Nernst-Planck-Poisson modeling [1]. The distribution of local barriers is probed through Nuclear Magnetic Resonance (NMR) measurements [2]. For Li3B7O12, the FWHM of the PSED is determined to be 250 meV while the activation energies show a FWHM of about 440 meV suggesting that the apparent energy distribution of saddle points must be significantly broader than the distribution of site energies.
[1] V.H. Gunawan, M. Schäfer, and K.-M. Weitzel, Phys.Chem.Chem.Phys., 26, 14430 (2024)
[2] M.A. Badgragheh, E. Winter, M. Vogel, unpublished results
Keywords: energy landscape; activation barriers; site energies; tranport; amorphous material