arXiv subjects

Marc De Graef

Publications and source records attributed to Marc De Graef.

17 recordsLinked to original sources

arXiv2026

Multimodal Diffusion to Mutually Enhance Polarized Light and Low Resolution EBSD Data

In spite of the utility of 3-D electron back-scattered diffraction (EBSD) microscopy, the data collection process can be time-consuming with serial-sectioning. Hence, it is natural to look at other modalities, such as polarized light (PL) data, to accelerate EBSD data collection, supplemented with shared information. Complementarily, features in chaotic PL data could even be enriched with a handful of EBSD measurements. To inherently learn the complex dynamics between EBSD and PL to solve these inverse problems, we use an unconditional multimodal diffusion model, motivated by progress in diffusion models for inverse problems. Although trained solely on synthetic data once, our model has strong generalizable capabilities on real data which can be low-resolution, noisy, corrupted, and misregistered. With inference-time scaling, we show gains in performance on a variety of objectives including grain boundary prediction, super-resolution, and denoising. With our model, we demonstrate that there is little difference from full resolution performance with only 25% (1/4 the resolution) of EBSD data and corrupted PL data.

eess.IV↗

arXiv2025

Energy-Resolved EBSD using a Monolithic Direct Electron Detector

Accurate quantification of the energy distribution of backscattered electrons (BSEs) contributing to electron backscatter diffraction (EBSD) patterns remains as an active challenge. This study introduces an energy-resolved EBSD methodology based on a monolithic active pixel sensor direct electron detector and an electron-counting algorithm to enable the energy quantification of individual BSEs, providing direct measurements of electron energy spectra within diffraction patterns. Following detector calibration of the detector signal as a function of primary beam energy, measurements using a 12 keV primary beam on Si(100) reveal a broad BSE energy distribution across the diffraction pattern, extending down to 3 keV. Furthermore, an angular dependence in the weighted average BSE energy is observed, closely matching predictions from Monte Carlo simulations. Pixel-resolved energy maps reveal subtle modulations at Kikuchi band edges, offering insights into the backscattering process. By applying energy filtering within spectral windows as narrow as 2 keV centered on the primary beam energy, significant enhancement in pattern clarity and high-frequency detail is observed. Notably, BSEs in the 9--10 keV range dominate Kikuchi pattern formation, while BSEs in the 2--8 keV range, despite having undergone substantial energy loss, still produce Kikuchi patterns. By enabling energy determination at the single-electron level, this approach introduces a versatile tool-set for expanding the quantitative capabilities of EBSD, thereby offering the potential to deepen the understanding of diffraction contrast mechanisms and to advance the precision of crystallographic measurements.

cond-mat.mtrl-sci↗

arXiv2025

Orientation-Adaptive Virtual Imaging of Defects using EBSD

EBSD is a foundational technique for characterizing crystallographic orientation, phase distribution, and lattice strain. Embedded within EBSD patterns lies latent information on dislocation structures, subtly encoded due to their deviation from perfect crystallinity - a feature often underutilized. Here, a novel framework termed orientation-adaptive virtual apertures (OAVA) is introduced. OAVAs enable the generation of virtual images tied to specific diffraction conditions, allowing the direct visualization of individual dislocations from a single EBSD map. By dynamically aligning virtual apertures in reciprocal space with the local crystallographic orientation, the method enhances contrast from defect-related strain fields, mirroring the principles of diffraction-contrast imaging in TEM, but without sample tilting. The approach capitalizes on the extensive diffraction space captured in a single high-quality EBSD scan, with its effectiveness enhanced by modern direct electron detectors that offer high-sensitivity at low accelerating voltages, reducing interaction volume and improving spatial resolution. We demonstrate that using OAVAs, identical imaging conditions can be applied across a polycrystalline field-of-view, enabling uniform contrast in differently oriented grains. Furthermore, in single-crystal GaN, threading dislocations are consistently resolved. Algorithms for the automated detection of dislocation contrast are presented, advancing defect characterization. By using OAVAs across a wide range of diffraction conditions in GaN, the visibility/invisibility of defects, owing to the anisotropy of the elastic strain field, is assessed and linked to candidate Burgers vectors. Altogether, OAVA offers a new and high-throughput pathway for orientation-specific defect characterization with the potential for automated, large-area defect analysis in single and polycrystalline materials.

cond-mat.mtrl-sci↗

arXiv2022

Inducing Skyrmion Flop Transitions in Co$_8$Zn$_8$Mn$_4$ at Room Temperature

Magnetic skyrmions are topologically-protected spin textures that manifest in certain non-centrosymmetric ferromagnets under the right conditions of temperature and field. In thin film skyrmion hosts, demagnetization effects combined with geometric confinement can result in two distinct types of spin textures: those with their axis of symmetry in the plane of the film (IP) and those with their axis pointing out-of-plane (OOP). Here we present Lorentz transmission electron microscopy evidence in conjunction with numerical modeling showing a flop transition between IP and OOP skyrmions in Co$_8$Zn$_8$Mn$_4$ at room temperature. We show that this skyrmion flop transition is controllable via the angle of the external field relative to the film normal and we illustrate how this transition depends on thickness. Finally, we propose a skyrmion-writing device that utilizes the details of this transition.

cond-mat.mtrl-sci↗

arXiv2022

Deterministically switching the Bloch chirality of domain walls and skyrmions: the Dzyaloshinskii astroid

We present a mechanism for deterministic control of the Bloch chirality in magnetic domain walls and skyrmions, originating from the interplay between an interfacial Dzyaloshinskii$-$Moriya interaction (DMI) and a perpendicular magnetic field. Although conventional interfacial DMI favors chiral Néel skyrmions, it does not break the energetic symmetry of the two Bloch chiralities in mixed Bloch$-$Néel skyrmions. However, the energy barrier to switching between Bloch chiralities does depend on the sense of rotation, which is dictated by the direction of the driving field. Our analytical and micromagnetic analyses of steady-state Dzyaloshinskii domain wall dynamics culminates in a switching diagram akin to the Stoner$-$Wohlfarth astroid, revealing the existence of achiral, chiral, and precessional Bloch regimes; we further show that in view of established energetic models, skyrmions should exhibit the same fundamental behavior. Finally, we discuss a recent theory of vertical Bloch line$-$mediated deterministic Bloch chirality in the precessional regime and extend these arguments to lower driving fields. This work establishes that the Bloch chirality of magnetic solitons can be switched on demand with applied fields, as indicated by the Dzyaloshinskii astroid.

cond-mat.mtrl-sci↗

arXiv2021

Towards hexagonal $C_{2v}$ systems with anisotropic DMI: Characterization of epitaxial Co$(10\bar{1}0)$/Pt$(110)$ multilayer films

Ferromagnet/heavy metal (FM/HM) multilayer thin films with $C_{2v}$ symmetry have the potential to host antiskyrmions and other chiral spin textures via an anisotropic Dzyaloshinkii-Moriya interaction (DMI). Here, we present a candidate material system that also has a strong uniaxial magnetocrystalline anisotropy aligned in the plane of the film. This system is based on a new Co/Pt epitaxial relationship, which is the central focus of this work: hexagonal closed-packed Co$(10\bar{1}0)[0001]$ $\parallel$ face-centered cubic Pt$(110)[001]$. We characterized the crystal structure and magnetic properties of our films using X-ray diffraction techniques and magnetometry respectively, including q-scans to determine stacking fault densities and their correlation with the measured magnetocrystalline anisotropy constant and thickness of Co. In future ultrathin multilayer films, we expect this epitaxial relationship to further enable an anisotropic DMI while supporting interfacial perpendicular magnetic anisotropy. The anticipated confluence of these properties, along with the tunability of multilayer films, make this material system a promising testbed for unveiling new spin configurations in FM/HM films.

cond-mat.mtrl-sci↗

arXiv2021

Dynamic symmetry breaking in chiral magnetic systems

The Dzyaloshinskii-Moriya interaction (DMI) in magnetic systems stabilizes spin textures with preferred chirality, applicable to next-generation memory and computing architectures. In perpendicularly magnetized heavy-metal/ferromagnet films, the interfacial DMI originating from structural inversion asymmetry and strong spin-orbit coupling favors chiral Néel-type domain walls (DWs) whose energetics and mobility remain at issue. Here, we characterize a new effect in which domains expand unidirectionally in response to a combination of out-of-plane and in-plane magnetic fields, with the growth direction controlled by the in-plane field strength. These growth directionalities and symmetries with applied fields cannot be understood from static treatments alone. We theoretically demonstrate that perpendicular field torques stabilize steady-state magnetization profiles highly asymmetric in elastic energy, resulting in a dynamic symmetry breaking consistent with the experimental findings. This phenomenon sheds light on the mechanisms governing the dynamics of Néel-type DWs and expands the utility of field-driven DW motion to probe and control chiral DWs.

cond-mat.mtrl-sci↗

arXiv2021

Magnetic domain wall substructures in Pt/Co/Ni/Ir multi-layers

We examine the substructures of magnetic domain walls (DWs) in [Pt/(Co/Ni)$_M$/Ir]$_N$ multi-layers using a combination of micromagnetic theory and Lorentz transmission electron microscopy (LTEM). Thermal stability calculations of Q=$\pm$1 substructures (2-$π$ vertical Bloch lines (VBLs) and DW skyrmions) were performed using a geodesic nudged elastic band (GNEB) model, which supports their metastability at room temperature. Experimental variation in strength of the interfacial Dzyaloshinskii-Moriya interaction (DMI) and film thickness reveals conditions under which these substructures are present and enables the formation of a magnetic phase diagram. Reduced thickness is found to favor Q=$\pm$1 substructures likely due to the suppression of hybrid DWs. The results from this study provide an important framework for examining 1-D DW substructures in chiral magnetic materials.

cond-mat.mtrl-sci↗

arXiv2021

Direct observation of topological charge impacting skyrmion bubble stability in Pt/Ni/Co asymmetric superlattices

We characterize the magnetic properties and domain structure of Pt/Ni/Co asymmetric superlattices in comparison to the more established Pt/Co/Ni structure. This reversal in stacking sequence leads to a marked drop in interfacial magnetic anisotropy and the magnitude of the interfacial Dzyaloshinskii-Moriya interaction (DMI) as inferred from the DW structure, which we speculate could be related to a degradation of the Pt/Co interface when Pt is deposited on top of the Co layer. Lorentz transmission electron microscopy reveals exclusively Néel type domain walls and, with a perpendicular field, Néel skyrmions in the Pt/Co/Ni films. Conversely, the Pt/Ni/Co samples show only achiral Bloch domain walls, which leads to the formation of achiral Bloch ($Q=1$) and type II bubbles ($Q=0$) at increased perpendicular field. Combined with the reduced anisotropy leading to greater bubble densities, the latter case makes for an excellent test bed to examine the benefits of topological charge on stability. Simultaneous observation of Bloch and type II bubbles shows a roughly 50 mT larger annihilation field for the former. An in-plane component to the magnetic field is shown to both impact the structure of the formed bubbles and separately suppress the topological benefit.

cond-mat.mtrl-sci↗

arXiv2020

Formation of zero-field Skyrmion arrays in asymmetric superlattices

We demonstrate the formation of metastable Néel-type skyrmion arrays in Pt/Co/Ni/Ir multi-layers at zero-field following \textit{ex situ} application of an in-plane magnetic field using Lorentz transmission electron microscopy. The resultant skyrmion texture is found to depend on both the strength and misorientation of the applied field as well as the interfacial Dzyaloshinskii-Moriya interaction. To demonstrate the importance of the applied field angle, we leverage bend contours in the specimens which coincide with transition regions between skyrmion and labyrinth patterns. Subsequent application of a perpendicular magnetic field near these regions reveals the unusual situation where skyrmions with opposite magnetic polarities are stabilized in close proximity.

cond-mat.mtrl-sci↗

arXiv2020

Electron Backscattered Diffraction using a New Monolithic Direct Detector: High Resolution and Fast Acquisition

A monolithic active pixel sensor based direct detector that is optimized for the primary beam energies in scanning electron microscopes is implemented for electron back-scattered diffraction (EBSD) applications. The high detection efficiency of the detector and its large array of pixels allow sensitive and accurate detection of Kikuchi bands arising from primary electron beam excitation energies of 4 keV to 28 keV, with the optimal contrast occurring in the range of 8-16 keV. The diffraction pattern acquisition speed is substantially improved via a sparse sampling mode, resulting from the acquisition of a reduced number of pixels on the detector. Standard inpainting algorithms are implemented to effectively estimate the information in the skipped regions in the acquired diffraction pattern. For EBSD mapping, a speed as high as 5988 scan points per second is demonstrated, with a tolerable fraction of indexed points and accuracy. The collective capabilities spanning from high angular resolution EBSD pattern to high speed pattern acquisition are achieved on the same detector, facilitating simultaneous detection modalities that enable a multitude of advanced EBSD applications, including lattice strain mapping, structural refinement, low-dose characterization, 3D-EBSD and dynamic in situ EBSD.

cond-mat.mtrl-sci↗

arXiv2019

Stabilization of coupled Dzyaloshinskii domain walls in fully compensated synthetic anti-ferromagnets

We examine the combined effects of interlayer exchange coupling (IEC) and the interfacial Dzyaloshinskii-Moriya Interaction (DMI) on the structure of magnetic domain walls in fully compensated synthetic anti-ferromagnets (SAFs). Ir-based SAFs with ferromagnetic (FM) layers based on [Pt/(Co/Ni)M]N were characterized by Lorentz transmission electron microscopy (LTEM). The multi-layer design of the individual ferromagnetic layers enables control of the interfacial Dzyaloshinskii-Moriya interaction (via 'M') and, in turn, the structure and chirality of domain walls (DWs). We compare the Fresnel-mode LTEM images in SAF designs with only a change in the purported strength of the DMI. The existence of anti-ferromagnetically coupled Dzyaloshinskii domain walls (DWs) in a high DMI SAF is confirmed through application of in-situ perpendicular magnetic field and sample tilt. This conclusion is based on a unique set of conditions required to observe contrast in Fresnel-mode LTEM, which we outline in this document.

cond-mat.mtrl-sci↗

arXiv2019

Magnetic domain wall Skyrmions

It is well established that the spin-orbit interaction in heavy metal/ferromagnet heterostructures leads to a significant interfacial Dzyaloshinskii-Moriya Interaction (DMI) that modifies the internal structure of magnetic domain walls (DWs) to favor Néel over Bloch type configurations. However, the impact of such a transition on the structure and stability of internal DW defects (e.g., vertical Bloch lines) has not yet been explored. We present a combination of analytical and micromagnetic calculations to describe a new type of topological excitation called a DW Skyrmion characterized by a $360^\circ$ rotation of the internal magnetization in a Dzyaloshinskii DW. We further propose a method to identify DW Skyrmions experimentally using Fresnel mode Lorentz TEM; simulated images of DW Skyrmions using this technique are presented based on the micromagnetic results.

cond-mat.mes-hall↗

arXiv2018

Demonstrating the potential of Accurate Absolute Cross-grain Stress and Orientation correlation using Electron Backscatter Diffraction

We report a first exploration of High-angular-Resolution Electron Backscatter Diffraction, without using simulated Electron Backscatter Diffraction patterns as a reference, for absolute stress and orientation measurements in polycrystalline materials. By co-correlating the pattern center and fully exploiting crystal symmetry and plane-stress, simultaneous correlation of all overlapping regions of interest in multiple direct-electron-detector, energy-filtered Electron Backscatter Diffraction patterns is achieved. The potential for highly accurate measurement of absolute stress, crystal orientation and pattern center is demonstrated on a virtual polycrystalline case-study, showing errors respectively below 20 MPa (or 1e-4 in strain), 7e-5 rad and 0.06 pixels.

cond-mat.mtrl-sci↗

arXiv2018

Lorentz TEM investigation of chiral spin textures and Néel Skyrmions in asymmetric [Pt/(Co/Ni)$_M$/Ir]$_N$ multi-layer thin films

We examine magnetic domain patterns in symmetric [Co/Ni]$_M$ and asymmetric [Pt/(Co/Ni)$_M$/Ir]$_N$ multi-layers using Fresnel mode Lorentz transmission electron microscopy (LTEM). In the symmetric multi-layer, where the Dzyaloshinskii-Moriya Interaction is expected to be zero, we observe purely Bloch type domain walls with no preferred chirality. In the asymmetric multi-layers, where significant interfacial DMI is present, we observe domain patterns with chiral Néel domain walls, which evolve into sub-100nm isolated Néel Skyrmions with the application of a perpendicular field. The impact of layer thickness and film stack on interfacial magnetic properties is discussed in the context of developing a tunable multi-layer system for future spintronic applications.

cond-mat.mtrl-sci↗

arXiv2017

3D Reconstruction of the Magnetic Vector Potential using Model Based Iterative Reconstruction

Lorentz Transmission Electron Microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector Field Electron Tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model for image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. A comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach.

stat.CO↗

arXiv2015

A Dictionary Approach to EBSD Indexing

We propose a framework for indexing of grain and sub-grain structures in electron backscatter diffraction (EBSD) images of polycrystalline materials. The framework is based on a previously introduced physics-based forward model by Callahan and De Graef (2013) relating measured patterns to grain orientations (Euler angle). The forward model is tuned to the microscope and the sample symmetry group. We discretize the domain of the forward model onto a dense grid of Euler angles and for each measured pattern we identify the most similar patterns in the dictionary. These patterns are used to identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixels 3x3 neighborhood. Indexing is accomplished by computing the mean orientation of the closest dictionary matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic 3-sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification. We demonstrate the proposed dictionary-based approach on a Ni-base IN100 alloy.

cs.CV↗