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A recent application of machine learning has been to spatially-resolved angle-resolved photoemission spectroscopy (ARPES). Here we advance the state-of-the-art by applying representational learning to transform ARPES data into an embedding space of a pre-trained self-supervised learning model, thus enhancing the pipeline that improves the bandstructure classification and domain assignment/segmentation performance compared to a k -means clustering method. In the current iteration, the real-space information is entered into the domain assignment through the graph convolution method, which improves the transfer learning performance of the original self-supervised model. Lastly, an unsupervised automated tool is developed that incorporates these techniques to enable automatic domain assignment.

Topological nodal semimetal (TNS), characterized by its touching conduction and valence bands, is a newly discovered state of quantum matter which exhibits various exotic physical phenomena. Recently, a new type of TNS called topological nodal line semimetal (TNLS) is predicted where its conduction and valence band form a degenerate one-dimension line which is further protected by its crystal symmetry. In this work, we systematically investigated the bulk and surface electronic structure of the non-symmorphic, TNLS in InBi (which is also a type II Dirac semimetal) with strong spin-orbit coupling by using angle resolved photoemission spectroscopy. By tracking the crossing points of the bulk bands at the Brillouin zone boundary, we discovered the nodal-line feature along the k z direction, in agreement with the ab initio calculations and confirmed it to be a new compound in the TNLS family. Our discovery provides a new material platform for the study of these exotic topological quantum phases and paves the way for possible future applications.

There is a growing recognition that electronic band structure is a local property of materials and devices, and there is steep growth in capabilities to collect the relevant data. New photon sources, from small-laboratory-based lasers to free electron lasers, together with focusing beam optics and advanced electron spectrometers, are beginning to enable angle-resolved photoemission spectroscopy (ARPES) in scanning mode with a spatial resolution of near to and below microns, two- to three orders of magnitude smaller than what has been typical for ARPES hitherto. The results are vast data sets inhabiting a five-dimensional subspace of the ten-dimensional space spanned by two scanning dimensions of real space, three of reciprocal space, three of spin-space, time, and energy. In this work, we demonstrate that recent developments in representational learning (self-supervised learning) combined with k -means clustering can help automate the labeling and spatial mapping of dispersion cuts, thus saving precious time relative to manual analysis, albeit with low performance. Finally, we introduce a few-shot learning ( k -nearest neighbor) in representational space where we selectively choose one ( k = 1) image reference for each known label and subsequently label the rest of the data with respect to the nearest reference image. This last approach demonstrates the strength of self-supervised learning to automate image analysis in ARPES in particular and can be generalized to any scientific image analysis.

Co 3 Sn 2 S 2 has been reported to be a Weyl semimetal with c -axis ferromagnetism below a Curie temperature of 177 K. Despite the large interest in Co 3 Sn 2 S 2 , the magnetic structure is still unclear. Recent studies have challenged the magnetic phase diagram of Co 3 Sn 2 S 2 by reporting unusual magnetic phases including the presence of exchange bias. Here we show, using X-ray Magnetic Circular Dichroism, a shift in the magnetization hysteresis loop, reminiscent of exchange bias and establish that the magnetic moment in Co arises from the spin, with negligible orbital moment. At 6 K, using spatially-resolved angle-resolved photoemission spectroscopy, we detect a butterfly-shaped electronic band structure at small regions of the sample distinct from the known ferromagnetic band structure. Our density functional theory calculations suggest that the butterfly bands correspond to an antiferromagnetic phase. Separately, we detect a sharp flat band at the Fermi level at some regions in the sample, which we attribute to a surface state. These different electronic states found in a stoichiometric intermetallic invite further efforts to explore the origin and nature of the electronic inhomogeneity associated to magnetism on the mesoscale. Co ₃ Sn ₂ S ₂ has been reported to be a Weyl semimetal but its magnetic and electronic structure is still under debate. Here, X-ray magnetic circular dichroism reveals that cobalt magnetic moments originate from spin, rather than orbital moments, whereas spatially-resolved angle-resolved photoemission spectroscopy indicates the presence of electronic inhomogeneities in the band structure and magnetic phases.

Ordinary metals contain electron liquids within well-defined ‘Fermi’ surfaces at which the electrons behave as if they were non-interacting. In the absence of transitions to entirely new phases such as insulators or superconductors, interactions between electrons induce scattering that is quadratic in the deviation of the binding energy from the Fermi level. A long-standing puzzle is that certain materials do not fit this ‘Fermi liquid’ description. A common feature is strong interactions between electrons relative to their kinetic energies. One route to this regime is special lattices to reduce the electron kinetic energies. Twisted bilayer graphene 1 – 4 is an example, and trihexagonal tiling lattices (triangular ‘kagome’), with all corner sites removed on a 2 × 2 superlattice, can also host narrow electron bands 5 for which interaction effects would be enhanced. Here we describe spectroscopy revealing non-Fermi-liquid behaviour for the ferromagnetic kagome metal Fe 3 Sn 2 (ref.  6 ). We discover three C 3 -symmetric electron pockets at the Brillouin zone centre, two of which are expected from density functional theory. The third and most sharply defined band emerges at low temperatures and binding energies by means of fractionalization of one of the other two, most likely on the account of enhanced electron–electron interactions owing to a flat band predicted to lie just above the Fermi level. Our discovery opens the topic of how such many-body physics involving flat bands 7 , 8 could differ depending on whether they arise from lattice geometry or from strongly localized atomic orbitals 9 , 10 . Laser-based micro-focused angle-resolved photoemission spectroscopy reveals both fractionalized and marginal quasiparticles in C 3 -symmetric electron pockets near the Brillouin zone centre of the ferromagnetic kagome metal Fe 3 Sn 2 .

Co Sn S has been reported to be a Weyl semimetal with -axis ferromagnetism below a Curie temperature of 177 K. Despite the large interest in Co Sn S , the magnetic structure is still unclear. Recent studies have challenged the magnetic phase diagram of Co Sn S by reporting unusual magnetic phases including the presence of exchange bias. Here we show, using X-ray Magnetic Circular Dichroism, a shift in the magnetization hysteresis loop, reminiscent of exchange bias and establish that the magnetic moment in Co arises from the spin, with negligible orbital moment. At 6 K, using spatially-resolved angle-resolved photoemission spectroscopy, we detect a butterfly-shaped electronic band structure at small regions of the sample distinct from the known ferromagnetic band structure. Our density functional theory calculations suggest that the butterfly bands correspond to an antiferromagnetic phase. Separately, we detect a sharp flat band at the Fermi level at some regions in the sample, which we attribute to a surface state. These different electronic states found in a stoichiometric intermetallic invite further efforts to explore the origin and nature of the electronic inhomogeneity associated to magnetism on the mesoscale.

Nodal semimetals host either degenerate points (Dirac/Weyl points) or lines whose band topology in Brillouin zone can be classified either as trivial (normal nodal semimetals) or non trivial (topological nodal semimetals). This thesis investigates the electronic structure of two different categories of topological nodal semimetals probed by angleresolved photoemission spectroscopy (ARPES): The first material is Indium Bismuth (InBi). InBi is a semimetal with simple tetragonal structure with P4/nmm space group. This space group is predicted to host protected nodal lines along the perpendicular momentum direction at the high symmetry lines of the Brillouin zone boundary even under strong spin-orbit coupling (SOC) situation. As a semimetal with two heavy elements, InBi is a suitable candidate to test the prediction. The investigation by ARPES demonstrates not only that InBi hosts the nodal line in the presence of strong SOC, it also shows the signature of type-II Dirac crossing along the perpendicular momentum direction from the center of Brillouin zone. However, as the nodal line observed is trivial in nature, there is no exotic drumhead surface states observed in this material. This finding demonstrates that Dirac crossings can be protected in a non-symmorphic space group. The second material is NbIrTe4 which is a semimetal that breaks inversion symmetry predicted to host only four Weyl points. This simplest configuration is confirmed by the measurement from the top and bottom surface of NbIrTe4 showing only a pair of Fermi arcs each. Furthermore, it is found that the Fermi arc connectivity on the bottom surface experiences re-wiring as it evolves from Weyl points energy to the ARPES Fermi energy level. This change is attributed to the hybridisation between the surface and the bulk states as their projection lie within the vicinity of each other. The finding in this work demonstrates that although Fermi arcs are guaranteed in Weyl semimetals, their shape and connectivity are not protected and may be altered accordingly.

In-operando characterization of van der Waals (vdW) devices using surface-sensitive methods provides critical insights into phase transitions and correlated electronic states. Yet, integrating vdW materials in functional devices while maintaining pristine surfaces is a key challenge for combined transport and surface-sensitive experiments. Conventional lithographic techniques introduce surface contamination, limiting the applicability of state-of-the-art spectroscopic probes. We present a stencil lithography-based approach for fabricating vdW devices, producing micron-scale electrical contacts, and exfoliation in ultra-high vacuum. The resist-free patterning method utilizes a shadow mask to define electrical contacts and yields thin flakes down to the single-layer regime via gold-assisted exfoliation. As a demonstration, we fabricate devices from 1\\(T-\\)TaS\\(_2\\) flakes, achieving reliable contacts for application of electrical pulses and resistance measurements, as well as clean surfaces allowing for angle-resolved photoemission spectroscopy. The approach provides a platform for studying the electronic properties of vdW systems with surface-sensitive probes in well-defined device geometries.

Co3Sn2S2 has been reported to be a Weyl semimetal with broken time-reversal symmetry with c axis ferromagnetism (FM) below a Curie temperature of 177 K. Despite the large interest in Co3Sn2S2, the magnetic structure is still under debate and recent studies have challenged our understanding of the magnetic phase diagram of Co3Sn2S2 by reporting unusual magnetic phases including the presence of exchange bias. Understanding the magnetism of Co3Sn2S2 is important since its electronic band structure including the much-celebrated flat bands and Weyl nodes depend on the magnetic phase. In this work, using X-ray Magnetic Circular Dichroism (XMCD), we establish that the magnetic moment in Co arises from the spin, with negligible orbital moment. In addition, we detect an in-plane AFM minority phase in the sea of a FM phase using spatially-resolved angle-resolved photoemission spectroscopy (-ARPES) combined with density functional theory (DFT) calculation. Separately, we detect a sharp flat band precisely at the Fermi level (EF) at some regions in the sample, which we attribute to a surface state. The AFM phase survives even to the low temperature of 6 K. This example of entirely different magnetic ground states in a stoichiometric intermetallic invites further efforts to explore the observed AFM phase and understand the origin and nature of the magnetic and electronic inhomogeneity on the mesoscale and the interface between the AFM and FM phases.

Recent development in angle-resolved photoemission spectroscopy (ARPES) technique involves spatially resolving samples while maintaining the high-resolution feature of momentum space. This development easily expands the data size and its complexity for data analysis, where one of it is to label similar dispersion cuts and map them spatially. In this work, we demonstrate that the recent development in representational learning (self-supervised learning) model combined with k-means clustering can help automate that part of data analysis and save precious time, albeit with low performance. Finally, we introduce a few-shot learning (k-nearest neighbour or kNN) in representational space where we selectively choose one (k=1) image reference for each known label and subsequently label the rest of the data with respect to the nearest reference image. This last approach demonstrates the strength of the self-supervised learning to automate the image analysis in ARPES in particular and can be generalized into any science data analysis that heavily involves image data.