arXiv subjects

Ziming Shao

Publications and source records attributed to Ziming Shao.

7 recordsLinked to original sources

arXiv2026

Crystallography of periodic nanotextures in a strained Mott insulator

Here we investigate stripes of alternating structural phases spontaneously forming in epitaxially strained $Ca_2RuO_4$ thin films below the metal-insulator transition. Using large-volume X-ray reciprocal-space mapping, we show that satellite-pattern intensities across 24 symmetry-inequivalent Bragg reflections collapse onto a single parameter-free curve. The collapse identifies a coherent martensitic laminate of few-nm-wide domains separated by ${012}$ interfaces, with displacements along $\left\langle01\bar{2}\right\rangle$. Satellite-extinction analysis demonstrates that both coexisting phases retain the bulk orthorhombic space group despite the pseudocubic $LaAlO_3$ substrate, biaxial epitaxial strain, and intrinsic strain at the interfaces. Classical invariant-plane-strain crystallography thus governs the nanoscale domain geometry of a Mott insulator with intertwined magnetic, electronic, and lattice order.

cond-mat.mtrl-sci↗

arXiv2026

A weighted quantile filter based framework for interface optimal design problems

We present a robust and efficient numerical framework based on a median filter scheme for solving a broad class of interface optimal design problems, from image segmentation to topology optimization. A key innovation of our work is the extension of the binary scheme into a level-set scheme via a weighted quantile interpretation. Unlike traditional binary iterative convolution-thresholding method (ICTM), this continuous weighted quantile filter scheme effectively overcomes the pinning effect caused by spatial discretization, achieving interface evolution even with small time steps. We also provide a rigorous theoretical analysis, proving the unconditional energy stability of the iterative scheme. Furthermore, we prove that for a wide class of data fidelity terms, the convex relaxation inherently enforces a binary solution, justifying the effectiveness of the method without explicit penalization. Numerical experiments on the Chan--Vese model, the local intensity fitting (LIF) model, and topology optimization in Stokes flow demonstrate that the proposed efficient continuous framework effectively eliminates the pinning effect, guarantees unconditional energy stability, and accurately converges to binary solutions.

math.NA↗

arXiv2026

Martensitic laminate geometry controls electronic phase transitions in a Mott insulator

Symmetry-lowering structural phase transitions result in multiple degenerate structures whose coexistence is determined by macroscopic strain compatibility. In quantum materials, these structural transformations often couple to electronic degrees of freedom, yet how the structural arrangements influence electronic phase transitions remains poorly understood. By analyzing hundreds of diffraction peaks from X-ray reciprocal space mapping, we determine the lattice basis vectors and mutual orientations of all coexisting phases in epitaxial V2O3 thin films after a symmetry-lowering transformation coincident with a metal-insulator transition. We identify the orientations of interfaces between all coexisting structures using the theory of martensitic phase transformations and find that the low temperature structure comprises finely tuned layered mixtures of alternating twin variants, akin to metal alloys. By comparing films grown on various substrate orientations, we show that the metal-insulator transition temperature increases monotonically with the degree to which these layered mixtures satisfy macroscopic strain compatibility imposed by the substrate.

cond-mat.mtrl-sci↗

arXiv2024

Picosecond expansion in LaAlO3 resonantly driven by infrared-active phonons

We investigate the ultrafast structural dynamics of LaAlO3 thin films driven by short mid-infrared laser pulses at 20 THz. Time-resolved X-ray diffraction reveals an immediate lattice expansion and an acoustic breathing mode of the film. First-principles theory and a spring-mass model identify the direct coupling between coherently driven infrared-active phonons and strain as the underlying mechanism. Time-resolved optical birefringence measurements confirm that the amplitude of this acoustic mode scales linearly with the pump fluence, which agrees with the theory. Furthermore, time-resolved X-ray diffuse scattering indicates that THz excitation enhances crystallinity by inducing a non-thermal increase in structural symmetry originating from preexisting defects. These findings highlight the potential of a multimodal approach-combining time-resolved X-ray and optical measurements and first-principles theory-to elucidate and control structural dynamics in nanoscale materials.

cond-mat.mtrl-sci↗

arXiv2024

X-ray Nano-imaging of a Heterogeneous Structural Phase Transition in V2O3

Controlling the Mott transition through strain engineering is crucial for advancing the development and application of memristive and neuromorphic computing devices. Yet, Mott insulators are heterogeneous due to intrinsic phase boundaries and extrinsic defects, posing significant challenges to fully understanding the impact of local microscopic distortions on the local Mott transition. Addressing these challenges demands structural characterizations at the relevant length scale. Here, using a synchrotron-based scanning X-ray nanoprobe, we studied the real-space structural heterogeneity during the structural phase transition in a V2O3 thin film. Through temperature-dependent metal-insulator phase coexistence mapping, we report a variation in the local transition temperature of up to 7 K across the film and the presence of the transition hysteresis at the nanoscale. Furthermore, a detailed quantitative analysis demonstrates that the spatial heterogeneity of the transition is closely tied to the tilting of crystallographic planes in the pure insulating phase. Our work highlights the impact of local heterogeneity on the Mott transition and lays the groundwork for future innovations in harnessing strain heterogeneity within Mott systems for the next-generation computational technologies.

cond-mat.mtrl-sci↗

arXiv2023

X-ray Nano-imaging of Defects in Thin Film Catalysts via Cluster Analysis

Functional properties of transition-metal oxides strongly depend on crystallographic defects. In transition-metal-oxide electrocatalysts such as SrIrO3 (SIO), crystallographic lattice deviations can affect ionic diffusion and adsorbate binding energies. Scanning x-ray nanodiffraction enables imaging of local structural distortions across an extended spatial region of thin samples. Line defects remain challenging to detect and localize using nanodiffraction, due to their weak diffuse scattering. Here we apply an unsupervised machine learning clustering algorithm to isolate the low-intensity diffuse scattering in as-grown and alkaline-treated thin epitaxially strained SIO films. We pinpoint the defect locations, find additional strain variation in the morphology of electrochemically cycled SIO, and interpret the defect type by analyzing the diffraction profile through clustering. Our findings demonstrate the use of a machine learning clustering algorithm for identifying and characterizing hard-to-find crystallographic defects in thin films of electrocatalysts and highlight the potential to study electrochemical reactions at defect sites in operando experiments.

cond-mat.mtrl-sci↗

arXiv2022

Real-space imaging of polar and elastic nano-textures in thin films via inversion of diffraction data

Exploiting the emerging nanoscale periodicities in epitaxial, single-crystal thin films is an exciting direction in quantum materials science: confinement and periodic distortions induce novel properties. The structural motifs of interest are ferroelastic, ferroelectric, multiferroic, and, more recently, topologically protected magnetization and polarization textures. A critical step towards heterostructure engineering is understanding their nanoscale structure, best achieved through real-space imaging. X-ray Bragg coherent diffractive imaging visualizes sub-picometer crystalline displacements with tens of nanometers spatial resolution. Yet, it is limited to objects spatially confined in all three dimensions and requires highly coherent, laser-like x-rays. Here we lift the confinement restriction by developing real-space imaging of periodic lattice distortions: we combine an iterative phase retrieval algorithm with unsupervised machine learning to invert the diffuse scattering in conventional x-ray reciprocal-space mapping into real-space images of polar and elastic textures in thin epitaxial films. We first demonstrate our imaging in PbTiO3/SrTiO3 superlattices to be consistent with published phase-field model calculations. We then visualize strain-induced ferroelastic domains emerging during the metal-insulator transition in Ca2RuO4 thin films. Instead of homogeneously transforming into a low-temperature structure (like in bulk), the strained Mott insulator splits into nanodomains with alternating lattice constants, as confirmed by cryogenic scanning transmission electron microscopy. Our study reveals the type, size, orientation, and crystal displacement field of the nano-textures. The non-destructive imaging of textures promises to improve models for their dynamics and enable advances in quantum materials and microelectronics.

cond-mat.mtrl-sci↗