Peter Wahl

We investigate the electronic structure at the surface of the correlated oxide Ca 3 Ru 2 O 7 , a low-symmetry ruthenate oxide which hosts an unconventional polar-metal phase. From a combination of angle-resolved photoemission spectroscopy and scanning tunneling spectroscopy measurements, we demonstrate that the surface hosts an insulating phase, a distinct departure from metallicity within the bulk. Utilizing quantitative low-energy electron diffraction in conjunction with electronic structure calculations, we show how this results from a combined surface structure relaxation and the impact of marked electronic correlations in this system. Our findings highlight the proximity of Ca 3 Ru 2 O 7 to an insulating metallic state, and illustrate how subtle structural distortions can control its emergent electronic phases.

Quasiparticle interference (QPI) is a powerful tool to characterize the symmetry of the superconducting order parameter in unconventional superconductors, by mapping the spatial dependence of elastic tunneling of electrons between the tip of a scanning tunneling microscope and a sample. Here, we consider the influence of inelastic tunneling on quasiparticle interference, exemplarily for the iron-based superconductor LiFeAs. We clearly observe replica features in both experimental QPI maps and the dispersion extracted from QPI, which from comparison with theoretical model calculations can be attributed to inelastic tunneling. Analysis of the QPI dispersion shows that the inelastic mode that gives rise to these replica features exhibits a resonance between 8 and 10 meV. Comparison of the energy scale of the resonance energy estimated from QPI with inelastic neutron scattering indicates that the replica features arise from interaction with spin fluctuations.

Magnetic van der Waals materials are an important building block to realize spintronic functionalities in heterostructures of two-dimensional (2D) materials. However, establishing their magnetic and electronic properties and the interrelationship between the magnetic ground state and electronic structure is often challenging because only a limited number of techniques can probe magnetism and electronic structure on length scales of tens to hundreds of nanometers. Chromium chalcogenides are a class of 2D magnetic materials for which a rich interplay between structure and magnetism has been predicted. Here, we combine angle-resolved photoemission and quasiparticle interference imaging to establish the electronic structure of a monolayer of CrTe 2 on graphite. From a comparison of model calculations with spectroscopic mapping using angle-resolved photoemission spectroscopy and scanning tunneling microscopy we establish the magnetic ground state and the low-energy electronic structure. We demonstrate that the band structure of monolayer CrTe 2 is captured well by density functional theory (DFT) in a DFT + U framework when a Coulomb repulsion of U = 2.5 eV is accounted for.

Knowledge of the electronic structure of quantum materials in the vicinity of the Fermi energy is key to understanding and tuning their properties and to making them useful for applications. While for bulk materials in single crystal form, spatially averaging techniques, such as angular resolved photoemission, now routinely reach sufficient energy and momentum resolution to achieve this, for thin film samples, intrinsic structural variation and inhomogeneity make it more challenging to gain a full understanding from spatially integrating techniques. Quasiparticle interference (QPI) provides a route to obtaining information about the electronic structure on a sub-millielectronvolt energy scale, with an energy resolution primarily limited by temperature. Efficient acquisition of QPI maps requires long hold times and low temperatures, ideally below 4 K in an ultra-high vacuum environment. Here, we introduce a 1 K-pot design that achieves efficient cooling with continuous feeding while not adding to the noise level and demonstrate its performance in scanning tunneling microscopy measurements.

Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The QPI patterns encode details of the k k -space electronic structure and its spin and orbital texture. Recovering this information from a measurement of QPI is non-trivial, requiring modelling not only of the dominant scattering vectors, but also the overlap of the wave functions with the tip of the microscope. While, in principle, it is possible to model QPI from density functional theory (DFT) calculations, for many quantum materials it is more desirable to model the QPI from a tight-binding model, where inaccuracies of the DFT calculation can be corrected. Here, we introduce an efficient code to simulate quasiparticle interference from tight-binding models using the continuum Green’s function method.

Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The QPI patterns encode details of the k k -space electronic structure and its spin and orbital texture. Recovering this information from a measurement of QPI is non-trivial, requiring modelling not only of the dominant scattering vectors, but also the overlap of the wave functions with the tip of the microscope. While, in principle, it is possible to model QPI from density functional theory (DFT) calculations, for many quantum materials it is more desirable to model the QPI from a tight-binding model, where inaccuracies of the DFT calculation can be corrected. Here, we introduce an efficient code to simulate quasiparticle interference from tight-binding models using the continuum Green’s function method.

Quasi-particle interference (QPI) is a powerful tool to characterize the symmetry of the superconducting order parameter in unconventional superconductors, by mapping the spatial dependence of elastic tunneling of electrons between the tip of a scanning tunneling microscope and a sample. Here, we consider the influence of inelastic tunneling on quasi-particle interference, exemplarily for the iron-based superconductor LiFeAs. We clearly observe replica features in both experimental QPI maps and the dispersion extracted from QPI, which from comparison with theoretical model calculations can be attributed to inelastic tunneling. Analysis of the QPI dispersion shows that the inelastic mode that gives rise to these replica features exhibits a resonance between 8 and 10 meV. Comparison of the energy scale of the resonance energy estimated from QPI with inelastic neutron scattering indicates that the replica features arise from interaction with spin fluctuations.

The chemical and electronic properties of surfaces and interfaces are important for many technologically relevant processes, be it in information processing, where interfacial electronic properties are crucial for device performance, or in catalytic processes, which depend on the types and densities of active nucleation sites for chemical reactions. Quasi-periodic and nonperiodic crystalline surfaces offer new opportunities because of their inherent inhomogeneity, resulting in localisation and properties vastly different from those of surfaces described by conventional Bravais lattices. Here, we demonstrate the formation of a nonperiodic tiling structure on the surface of the frustrated antiferromagnet PdCrO₂ due to hydrogen adsorption. The tiling structure exhibits no long-range periodicity but comprises few-atom hexagonally packed domains covering large terraces. Measurement of the local density of states by tunnelling spectroscopy reveals adsorption-driven modifications to the quasi-2D electronic structure of the surface layer, showing exciting opportunities arising from electron localisation.