Magneto-transport evidence for strong topological insulator phase in ZrTe5

The identification of a non-trivial band topology usually relies on directly probing the protected surface/edge states. But, it is difficult to achieve electronically in narrow-gap topological materials due to the small (meV) energy scales. Here, we demonstrate that band inversion, a crucial ingredient of the non-trivial band topology, can serve as an alternative, experimentally accessible indicator. We show that an inverted band can lead to a four-fold splitting of the non-zero Landau levels, contrasting the two-fold splitting (spin splitting only) in the normal band. We confirm our predictions in magneto-transport experiments on a narrow-gap strong topological insulator, zirconium pentatelluride (ZrTe5), with the observation of additional splittings in the quantum oscillations and also an anomalous peak in the extreme quantum limit. Our work establishes an effective strategy for identifying the band inversion as well as the associated topological phases for future topological materials research.

Depth-Resolved Phase Analysis of Expanded Austenite Formed in Austenitic Stainless Steel

Expanded austenite γN formed after nitrogen insertion into austenitic stainless steel and CoCr alloys is known as a hard and very wear resistant phase. Nevertheless, no single composition and lattice expansion can describe this phase with nitrogen in solid solution. Using in situ X-ray diffraction (XRD) during ion beam sputtering of expanded austenite allows a detailed depth-dependent phase analysis, correlated with the nitrogen depth profiles obtained by time-of-flight secondary ion mass spectrometry (ToF-SIMS) or glow discharge optical emission spectroscopy (GDOES). Additionally, in-plane XRD measurements at selected depths were performed for strain analysis. Surprisingly, an anomalous peak splitting for the (200) expanded peak was observed for some samples during nitriding and sputter etching, indicating a layered structure only for {200} oriented grains. The strain analysis as a function of depth and orientation of scattering vector (parallel/perpendicular to the surface) is inconclusive.

Improving signal strength in serial crystallography with DIALS geometry refinement

The DIALS diffraction-modeling software package has been applied to serial crystallography data. Diffraction modeling is an exercise in determining the experimental parameters, such as incident beam wavelength, crystal unit cell and orientation, and detector geometry, that are most consistent with the observed positions of Bragg spots. These parameters can be refined by nonlinear least-squares fitting. In previous work, it has been challenging to refine both the positions of the sensors (metrology) on multipanel imaging detectors such as the CSPAD and the orientations of all of the crystals studied. Since the optimal models for metrology and crystal orientation are interdependent, alternate cycles of panel refinement and crystal refinement have been required. To simplify the process, a sparse linear algebra technique for solving the normal equations was implemented, allowing the detector panels to be refined simultaneously against the diffraction from thousands of crystals with excellent computational performance. Separately, it is shown how to refine the metrology of a second CSPAD detector, positioned at a distance of 2.5 m from the crystal, used for recording low-angle reflections. With the ability to jointly refine the detector position against the ensemble of all crystals used for structure determination, it is shown that ensemble refinement greatly reduces the apparent nonisomorphism that is often observed in the unit-cell distributions from still-shot serial crystallography. In addition, it is shown that batching the images by timestamp and re-refining the detector position can realistically model small, time-dependent variations in detector position relative to the sample, and thereby improve the integrated structure-factor intensity signal and heavy-atom anomalous peak heights.