Publications by authors named "F Libisch"

Article Synopsis
  • Evaluating interaction energies in large systems like liquids and molecular crystals can be time-consuming, creating a need for faster, cost-effective methods.
  • Fragmentation of large clusters into smaller subsystems allows for efficient calculations, using approaches like mechanical embedding and various types of quantum mechanics/molecular mechanics embeddings.
  • The study tests these methods and shows that they can significantly reduce interaction energy errors (up to 20 times lower) compared to simpler approaches, achieving high accuracy (errors below 0.1 kJ/mol).
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Intervalley excitons with electron and hole wavefunctions residing in different valleys determine the long-range transport and dynamics observed in many semiconductors. However, these excitons with vanishing oscillator strength do not directly couple to light and, hence, remain largely unstudied. Here, we develop a simple nanomechanical technique to control the energy hierarchy of valleys via their contrasting response to mechanical strain.

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We report on the energy dependence of the photoemission time delay from the single-element layered dielectric HOPG (highly oriented pyrolytic graphite). This system offers the unique opportunity to directly observe the Eisenbud-Wigner-Smith (EWS) time delays related to the bulk electronic band structure without being strongly perturbed by ubiquitous effects of transport, screening, and multiple scattering. We find the experimental streaking time shifts to be sensitive to the modulation of the density of states in the high-energy region ( ≈ 100 eV) of the band structure.

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In twisted van der Waals (vdW) bilayers, intrinsic strain associated with the moiré superlattice and unintentionally introduced uniaxial strain may be present simultaneously. Both strains are able to lift the degeneracy of the E phonon modes in Raman spectra. Because of the different rotation symmetry of the two types of strain, the corresponding Raman intensity exhibits a distinct polarization dependence.

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Transient absorption spectroscopy is a powerful tool to monitor the out-of-equilibrium optical response of photoexcited semiconductors. When this method is applied to two-dimensional semiconductors deposited on different substrates, the excited state optical properties are inferred from the pump-induced changes in the transmission/reflection of the probe, i.e.

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