Highlights of PSI-FELLOW Collaborations resulting in Publications

Nuclear power plays a crucial role in a sustainable future due to its ability to generate large amounts of low-carbon electricity, which is essential for mitigating climate change. Unlike fossil fuels, nuclear energy produces minimal greenhouse gas emissions, helping to reduce the overall carbon footprint of power generation. However, the main concern is the inevitable accumulation of nuclear waste, and this needs to be properly addressed. With the anticipated increase in the number of operating nuclear power plants around the world it is essential to develop new materials and technologies for nuclear waste management. In our latest study we have developed and tested new radiografted materials as potential ^110mAg adsorbents. This silver radionuclide is a very elusive contaminant in the pressurized water reactors (PWR) and represents a major problem for normal operation. Additionally, ^110mAg possess a significant danger to the environment, if not removed completely from the PWR wastewater.

In this study, we explore and demonstrate a rapid method for actinic patterned EUV mask inspection based on a deep neural network (DNN) architecture which exploits a-priori information of the photomask sample. We aim to achieve fast, high-quality image reconstruction of an EUV mask by using comparatively few diffraction patterns in a formalism consistent with the ptychography approach.
We tested our prior-primed DNN method on both synthetic and experimental data, demonstrating that the sample can be reconstructed fast and with high fidelity, allowing us to map out the mask defects down to a size of about 40 nm. 

Radioligands targeting the prostate-specific membrane antigen (PSMA) are currently used in the clinics to treat patients with metastatic castration-resistant prostate cancer. Continuous investigations are, nevertheless, conducted to design new small molecule-based radioligands and improve their respective pharmacokinetic properties. Various strategies have been devised to reasonably prolong the blood circulation, which would result into enhanced tumor accumulation and radiation dose delivered to eliminate the cancer cells. The goal of this study was to investigate the influence of the incorporation of a transthyretin binder (TB-01) in the tumor uptake of the resultant PSMA-targeted radioligand.

At the Paul Scherrer Institute (PSI), within the Isotope and Target Chemistry (ITC) group, various radiochemical methods are developed to fully separate and purify individual radionuclides. These separation methods are devised for both new experiments and for reprocessing radioactive waste from previous experiments.

n2EDM is the current state of the art experiment carrying out a high-precision search for an electric dipole moment of the neutron at the ultra-cold neutron source of PSI. In order to reach it’s incredible precision of 10^-27 e cm, a stable and uniform magnetic environment is critical. Thus, shielding the experiment from external magnetic flux and preparing a pristine magnetic environment is crucial. To achieve this, n2EDM uses both passive and active magnetic shielding components. External, or residual, magnetic field contributions must be near-zero, and can be achieved via “degaussing” the experiment’s passive magnetic shielding. Degaussing reduces, ideally “erases”, the residual magnetization of a material. In this work, we greatly improved the degaussing procedure of n2EDM, reducing the residual magnetic field by a factor of two, improving its uniformity, and all while taking less time and dissipating less heat.

The visual pigment rhodopsin plays a critical role in the process of low-light vision in vertebrates. It is present in the disk membranes of rod cells in the retina and is responsible for transforming the absorption of light into a physiological signal. Rhodopsin has a unique structure that consists of seven transmembrane (TM) α-helices with an 11-cis retinal chromophore covalently bound to the Lysine sidechain of 7^th TM helix. A negatively charged amino acid (glutamate) forms a salt bridge with the protonated Schiff base (PSB) of the chromophore to stabilize the receptor in the resting state.

Rhodopsin transforms the absorption of light into a physiological signal through conformational changes that activate the intracellular G protein transducin—a member of the Gi/o/t family—initiating a signaling cascade, resulting in electrical impulses sent to the brain and ultimately leading to visual perception. Although previous studies have provided valuable insights into the mechanism of signal transduction in rhodopsin, methods that provide both a high spatial and temporal resolution are necessary to fully understand the activation mechanism at the atomic scale from femtoseconds to milliseconds. This study presents the first experimentally-derived picture of the rhodopsin activation mechanism at the atomic scale using time-resolved serial femtosecond crystallography in association with hybrid quantum mechanics/molecular mechanics (QM/MM) simulations. The results show that light-induced structural changes in rhodopsin occur on a timescale of hundreds of femtoseconds, and they reveal new details about the conformational changes that occur during activation.

“Soft” x-rays are notoriously hard to detect. Particularly, in the context of high-performance synchrotron and free electron laser (FEL) experiments, suitable detector options for low-energy x-rays are highly sought after. Currently available options only provide limited area, readout speed, and dynamic range. Now, a team of scientists from the Laboratory for X-Ray Nanoscience and Technologies (LXN) at PSI are challenging these limitations. They combined a detector made at PSI with newly developed silicon sensors to push the resolution toward the soft x-ray limit. A first version of this detector system is now in operation at the SwissFEL endstation Maloja. And it points to further possibilities to refine the detector technology to eventually catch the elusive soft x-rays.

The coupling of spin, charge and lattice degrees of freedom results in the emergence of novel states of matter across many classes of strongly correlated electron materials. A model example is unconventional superconductivity, which is widely believed to arise from the coupling of electrons via spin excitations. In cuprate high-temperature superconductors, the interplay of charge and spin degrees of freedom is also reflected in a zoo of charge and spin- density wave orders that are intertwined with superconductivity ...

SwissFEL team has demonstrated the generation of widely tunable two-color x-ray free-electron laser (FEL) pulses with unprecedented photon energy ratio between the two colors of about three (350 and 915 eV), in addition to a tunable time separation between the two pulses from negative time delays to up to 500 fs. These new capabilities open new opportunities to study ultrafast x-ray-induced energy transfer and relaxation processes in physics, chemistry, and biology.

A team of scientists from Paul Scherrer Institut and Oak Ridge National Laboratory review recent experimental studies of spin dynamics in the rare-earth perovskite materials. These compounds show unconventional magnetic excitations at low temperatures, including confined and deconfined spinons as well as multimagnon states, which were revealed by means of high-resolution neutron spectroscopy. These observations demonstrate that the rare-earth perovskite magnets can provide realizations of various aspects of quantum low-dimensional physics.

In an exciting collaboration, Nick Phillips, a PSI Fellow at the cSAXS beamline, reveals nanoscale lattice distortions created by invisible defects in fusion reactor armor. This work develops the current understanding of how the smallest, but most prevalent defects, generated during neutron irradiation behave. The novel Bragg ptychographic approach published in Nature Communications paves the way for fast, robust, 3D Bragg ptychography.

A team of scientists from Konstanz have developed and characterized micrometre-size binary mesocrystals made from the self-assembly of ironoxide and platinum nanocubes and published their work in Angewandte Chemie International Edition. In collaboration with researchers from Empa and PSI, they used brilliant x-rays at the cSAXS beamline of the Swiss Light Source to characterize the lattice spacing in the crystalline structure of the mesocrystals and complement their results through electron microscopy.

Our collaborators at the Jozef Stefan Institute – the leading author, Jan Ravnik, is now a PSI Fellow at LMN – report a study of the electron ordering in equilateral triangle structures via photoexcitation of the prototypical dichalcogenide 1T-TaS₂.

Our collaborators at the Jozef Stefan Institute – the leading author, Jan Ravnik, is now a PSI Fellow at LMN – report a ‘dynamical’ phase diagram of metastable quantum states generated via photoexcitation of the prototypical dichalcogenide material 1T-TaS₂.

The authors demonstrate the stability of ferromagnetic order of one unit cell thick optimally doped manganite (La0.7Ba0.3MnO3, LBMO) epitaxially grown between two layers of SrRuO3 (SRO). LBMO shows ferromagnetism even above SRO Tc. Density Functional Theory calculations help understand the reasons behind this interesting result.

Strontium ruthenate (Sr₂RuO₄) continues to present an important test of our understanding of unconventional superconductivity, because while its normal-state electronic structure is known with precision, its superconductivity remains unexplained. There is evidence that its order parameter is chiral, but reconciling this with recent observations of the spin part of the pairing requires an order parameter that is either finely tuned or implies a new form of pairing. Therefore, a definitive resolution of whether the superconductivity of Sr₂RuO₄ is chiral is important for the study of superconductivity.

As exemplified by the growing interest in the quantum anomalous Hall effect, the research on topology as an organizing principle of quantum matter is greatly enriched from the interplay with magnetism. In this vein, we present a combined electrical and thermoelectrical transport study on the magnetic Weyl semimetal EuCd₂As₂. Unconventional contribution to the anomalous Hall and anomalous Nernst effects were observed both above and below the magnetic transition temperature of EuCd₂As₂, indicating the existence of significant Berry curvature.

We report the discovery of topological magnetism in the candidate magnetic Weyl semimetal CeAlGe. Using neutron scattering we find this system to host several incommensurate, square-coordinated multi-k⃗ magnetic phases below T_N. The topological properties of a phase stable at intermediate magnetic fields parallel to the c axis are suggested by observation of a topological Hall effect. 

Weyl fermions as emergent quasiparticles can arise in Weyl semimetals (WSMs) in which the energy bands are nondegenerate, resulting from inversion or time-reversal symmetry breaking. Nevertheless, experimental evidence for magnetically induced WSMs is scarce. Here, using photoemission spectroscopy, we observe that the degeneracy of Bloch bands is already lifted in the paramagnetic phase of EuCd₂As₂. We attribute this effect to the itinerant electrons experiencing quasi-static and quasi–long-range ferromagnetic fluctuations.

With a specific stimulus, shape‐memory materials can assume a temporary shape and subsequently recover their original shape, a functionality that renders them relevant for applications in fields such as biomedicine, aerospace, and wearable electronics. Shape‐memory in polymers and composites is usually achieved by exploiting a thermal transition to program a temporary shape and subsequently recover the original shape.

Magnetically coupled nanomagnets have multiple applications in nonvolatile memories, logic gates, and sensors. The most effective couplings have been found to occur between the magnetic layers in a vertical stack. We achieved strong coupling of laterally adjacent nanomagnets using the interfacial Dzyaloshinskii-Moriya interaction. This coupling is mediated by chiral domain walls between out-of-plane and in-plane magnetic regions and dominates the behavior of nanomagnets below a critical size.

Niéli’s paper is accepted in the Journal of Physical Chemistry Letters! We use X-ray absorption spectroscopy and X-ray magnetic circular dichroism to watch directly how the Co and Fe ions in a molecular cube change their oxidation states and turn from diamagnetic into paramagnetic units upon light irradiation.

Scientists have demonstrated in a combined theoretical and experimental effort that the new ligand-field density functional theory method (LF-DFT) can be used to calculate the X-ray absorption spectra (XAS) and X-ray magnetic circular dichroism (XMCD) of lanthanide compounds from purely structural input.