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We show that in non-collinear magnetic molecules, non-adiabatic (dynamical) effects due to the electron-vibron coupling are time-reversal symmetry breaking interactions for the vibrational field. As in these systems the electronic wavefunction can not be chosen as real, a nonzero geometric vector potential (Berry connection) arises. As a result, an intrinsic nonzero vibrational angular momentum occurs even for non-degenerate modes and in the absence of external probes. The vibronic modes can then be seen as elementary quantum particles carrying a sizeable angular momentum. As a proof of concept, we demonstrate the magnitude of this topological effect by performing non-adiabatic first principles calculations on platinum clusters and by showing that these molecules host sizeable intrinsic phonon angular momenta comparable to the orbital electronic ones in itinerant ferromagnets.
We present a thorough theoretical assessment of the stability of non-collinear spin arrangements in small palladium clusters. We generally find that ferromagnetic order is always preferred, but that antiferromagnetic and non-collinear configurations
This review article discusses advances in the use of time-resolved photoelectron spectroscopy for the study of non-adiabatic processes in molecules. A theoretical treatment of the experiments is presented together with a number of experimental examples.
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$mathrm{_1}$ structure were obtained along the [110] direction. We co
We propose that non-collinear magnetic order in quantum magnets can harbor a novel higher-order topological magnon phase with non-Hermitian topology and hinge magnon modes. We consider a three-dimensional system of interacting local moments on stacke
Polar molecules in selected quantum states can be guided, decelerated and trapped using electric fields created by microstructured electrodes on a chip. Here we explore how non-adiabatic transitions between levels in which the molecules are trapped a