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cond-mat.mtrl-sci2026★ 15 cited

Nanoscale SrIrO Freestanding Thin-Films for Flexible Electronics

Sujan Shrestha, Matthew Coile, Menglin Zhu +7

We report the structural and optical properties of nanoscale Sr2IrO4 freestanding thin-films fabricated using a water-soluble Sr3Al2O6 layer. The coherent lattice structure, phonon…

cond-mat.mtrl-sci2026★ 34 cited

Over what length scale does an inorganic substrate perturb the structure of a glassy organic semiconductor?

Kushal Bagchi, Chuting Deng, Camille Bishop +6

While the bulk structure of vapor-deposited glasses has been extensively studied, structure at buried interfaces has received little attention, despite being important for organic…

cond-mat.mtrl-sci2026

Giant Exfoliation Induced Magnetic Coercivity in FeGaTe

Lingrui Mei, PeiYu Cai, Sang-Eon Lee +6

Permanent magnets with strong anisotropy and high coercivity underpin modern information and energy technologies, yet rare-earth-free alternatives remain limited. Here, we show tha…

cond-mat.mtrl-sci2026★ 2 cited

From Atomistic Models to Machine Learning: Predictive Design of Nanocarbons under Extreme Conditions

Xiaoli Yan, Millicent A. Firestone, Murat Keceli +2

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but ho…

cond-mat.mtrl-sci2026

Atomically Resolved Acoustic Dynamics Coupled with Magnetic Order in a van der Waals Antiferromagnet

Faran Zhou, Kyle Hwangbo, Sung Soo Ha +22

Magnetoelastic coupling in van der Waals (vdW) magnetic materials enables a unique interplay between the spin and lattice degrees of freedom. Characterizing the elastic responses w…

cond-mat.mtrl-sci2026

Atomic-Scale Mechanisms of Li-Ion Transport Mediated by Li10GeP2S12 in Composite Solid Polyethylene Oxide Electrolytes

Syed Mustafa Shah, Musawenkosi K. Ncube, Mohammed Lemaalem +8

Polymer electrolytes incorporating LiGePS (LGPS) nanoparticles show promise for solid-state lithium batteries owing to their enhanced ionic conductivity, though…

cond-mat.mtrl-sci2025

Ionic Interdiffusion at Cathode-Solid-Electrolyte Interface: A Machine Learning-Assisted Multiscale Investigation and Mitigation Strategies

Musawenkosi K. Ncube, Pallab Barai, Selva Chandrasekaran Selvaraj +3

Future lithium-based batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. The majority of solid electrolytes are thermody…

cond-mat.mtrl-sci2025★ 1 cited

Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes

Grace Guinan, Michelle A. Smeaton, Brian C. Wyatt +6

Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-lay…

cond-mat.mtrl-sci2025★ 4 cited

Imaging Nanoscale Carrier, Thermal, and Structural Dynamics with Time-Resolved and Ultrafast Electron Energy-Loss Spectroscopy

Wonseok Lee, Levi D. Palmer, Thomas E. Gage +1

Time-resolved and ultrafast electron energy-loss spectroscopy (EELS) is an emerging technique for measuring photoexcited carriers, lattice dynamics, and near-fields across femtosec…

cond-mat.mtrl-sci2025

Theoretical design of the large topological magnetoelectric effect in the Co-intercalated NbS structure

Hyowon Park, Ivar Martin

A triangular Co-ion lattice intercalated between 1-H NbS layers can exhibit a large anomalous Hall effect (AHE) due to the finite scalar spin chirality originating from the non…

cond-mat.mtrl-sci2025

Search for Active and Inactive Ion Insertion Sites in Organic Crystalline Materials

Harshan Reddy Gopidi, Alae Eddine Lakraychi, Abhishek A. Panchal +9

The position of mobile active and inactive ions, specifically ion insertion sites, within organic crystals, significantly affects the properties of organic materials used for energ…

cond-mat.mtrl-sci2025★ 3 cited

Spontaneous Twirls and Structural Frustration in Moiré Materials

Jingtian Shi, Gaurav Chaudhary, Allan H. MacDonald +1

Structural twirls form spontaneously in the domain wall networks of some moiré materials. We show that in heterobilayers, neighboring twirl chiralities tend to anti-align, forming…

cond-mat.mtrl-sci2025

Evolution from Topological Dirac Metal to Flat-band-Induced Antiferromagnet in Layered KxNi4S2 (0<=x<=1)

Hengdi Zhao, Xiuquan Zhou, Hyowon Park +17

Condensed matter systems with coexisting Dirac cones and flat bands, and a switchable control between them within a single system, are desirable but remarkably uncommon. Here we re…

cond-mat.mtrl-sci2025

Intertwined polar, chiral, and ferro-rotational orders in a rotation-only insulator

Weizhe Zhang, June Ho Yeo, Xiaoyu Guo +8

Intertwined orders refer to strongly coupled and mutually dependent orders that coexist in correlated electron systems, often underpinning key physical properties of the host mater…

cond-mat.mtrl-sci2025

Persistent Interfacial Topological Hall Effect Demonstrating Electrical Readout of Topological Spin Structures in Insulators

Jing Li, Huilin Lai, Andrew H. Comstock +12

Conventional topological Hall effects (THE) require conducting magnets, leaving insulating systems largely inaccessible. Here we introduce the interfacial topological Hall effect (…

cond-mat.mtrl-sci2025

Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom

Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee +3

The precise understanding of adsorption energetics and molecular geometry at catalytic sites is fundamental for advancing catalysis, particularly under the constraints of resource…

cond-mat.mtrl-sci2025★ 2 cited

Characterisation of Irradiation Damage in Fe3Cr and Fe5Cr: A Study on the Effects of Chromium Content and Temperature

Chandra Bhusan Yadav, Andrew J. London, Tonci Tadic +4

Fe-Cr binary alloys serve as simplified model systems to study irradiation damage relevant to fusion structural materials. Here, Fe-3%Cr and Fe-5%Cr samples were irradiated with 4…

cond-mat.mtrl-sci2025★ 4 cited

Unveiling the Lithium-Ion Transport Mechanism in Li2ZrCl6 Solid-State Electrolyte via Deep Learning-Accelerated Molecular Dynamics Simulations

Hanzeng Guo, Volodymyr Koverga, Selva Chandrasekaran Selvaraj +1

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolyte for next-generation all-solid-state batteries. The unique crystal structure of LZCs…

cond-mat.mtrl-sci2025★ 7 cited

Local Inversion Symmetry Breaking and Thermodynamic Evidence for Ferrimagnetism in Fe3GaTe2

Sang-Eon Lee, Yue Li, Yeonkyu Lee +19

The layered compound Fe3GaTe2 is attracting attention due to its high Curie temperature, low dimensionality, and the presence of topological spin textures above room temperature, m…

cond-mat.mtrl-sci2025★ 6 cited

Towards dislocation-driven quantum interconnects

Cunzhi Zhang, Victor Wen-zhe Yu, Yu Jin +4

A central problem in the deployment of quantum technologies is the realization of robust architectures for quantum interconnects. We propose to engineer interconnects in semiconduc…

cond-mat.mtrl-sci2025★ 3 cited

Mechanisms and Stability of Li Dynamics in Amorphous Li-Ti-P-S-Based Mixed Ionic-Electronic Conductors: A Machine Learning Molecular Dynamics Study

Selva Chandrasekaran Selvaraj, Daiwei Wang, Donghai Wang +1

Mixed ionic-electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and sta…

cond-mat.mtrl-sci2025★ 1 cited

Mic-hackathon 2024: Hackathon on Machine Learning for Electron and Scanning Probe Microscopy

Utkarsh Pratiush, Austin Houston, Kamyar Barakati +70

Microscopy is a primary source of information on materials structure and functionality at nanometer and atomic scales. The data generated is often well-structured, enriched with me…

cond-mat.mtrl-sci2025★ 2 cited

Interfacial reconstruction effects in insulating double perovskite NdNiMnO/SrTiO and NdNiMnO/NdGaO thin films

Nandana Bhattacharya, Ranjan Kumar Patel, Siddharth Kumar +6

Ferromagnetic insulating (FMI) double perovskite oxides (DPOs) O with near-room-temperature Curie temperatures are promising candidates for ambient-temperature spintron…

cond-mat.mtrl-sci2025★ 1 cited

Time inversion symmetry in the Dirac and Schrödinger-Pauli theories

R. Winkler, U. Zülicke

The Schrödinger-Pauli theory is generally believed to give a faithful representation of the nonrelativistic and weakly relativistic limit of the Dirac theory. However, the Schrödin…