Iron-mediated on-surface synthesis of substrate-decoupled graphdiyne monolayersGraphdiynes are emerging two-dimensional sp-sp2 carbon materials with electronic structures complementing those of graphene, yet their on-surface synthesis is limited by the persistence of…Alice Cartoceti, Simona Achilli, Gianni Conti et al.·Jul 11, 2026SaveLearn
Keffer-like form of the symmetric Heisenberg exchange integral: Contribution to the Landau--Lifshitz--Gilbert equation and spin wave dispersion dependenceThe symmetric Heisenberg exchange interaction and antisymmetric Dzyaloshinskii-Moriya interaction are parts of the tensor potential describing effective spin-spin interaction caused by the…Pavel A. Andreev·Jul 11, 2026SaveLearn
Flux Jamming and Bimodal Dynamics in Bounded Spin NetworksWe present a quantitative framework for predicting how kinetic barriers governing temperature dependent relaxation arise in finite square magnetic networks. By formulating a series of non homogeneous…Paula Mellado, Hanu Arava·Jul 10, 2026SaveLearn
Alloy engineering of Magnetic phases in two-dimensional Chromium TrihalidesTwo-dimensional magnetic materials offer unique opportunities for exploring low-dimensional spin phenomena and next-generation spintronic devices. Chromium trihalides CrX3 (X = Cl, Br, I) belong to…Pedro Roberto Lopes Vieira, Daniel D. Rivera, Lucas Martin Farigliano et al.·Jul 10, 2026SaveLearn
Probing the Nature of Interstitial Anionic Electrons in 2D Electride Ca2N via Landau-Level SpectroscopyWe investigate the magnetic-field response of interstitial anionic electrons (IAEs) in two-dimensional electrides, using monolayer Ca2N as a prototypical system. By computing the Landau-level (LL)…Arjyama Bordoloi, Daniel Kaplan, Sobhit Singh·Jul 10, 2026SaveLearn
Anisotropic representations for E(3)-equivariant machine learning coarse-grained potentialsCoarse-graining (CG) lowers the computational cost of atomistic simulations by representing groups of atoms as effective interaction sites, reducing the degrees of freedom of the system but often…Varun Shankar, Emil Annevelink·Jul 10, 2026SaveLearn
Thermodynamics of hydride formation: Anisotropic size-dependent coupled chemo-thermo-mechanical effects at Ni/NiH interfacesNi nanoparticles are frequently used as catalysts for hydrogenation reactions as well as in hydrogen storage applications. Recently, we have shown that small Ni nanoparticles can absorb hydrogen at <…Sourabh Singha, Abhijit Chatterjee·Jul 10, 2026SaveLearn
Improved Heat Dissipation in CsPbBr3-hBN HeterostructuresMetal halide perovskite semiconductors are promising materials for optoelectronic and photonic devices, including solar cells and next-generation coherent light sources. However, their low thermal…Liudmila Starodubtceva, Ahmed Kadid, Naho Kurahashi et al.·Jul 10, 2026SaveLearn
Auditing Machine-Learning Models and Their Training Data with Explainability and First-Principles Verification: Application to Spin Hall ConductivityMachine-learning models for materials properties rest on two assumptions that standard validation never tests: that a model's features reflect the physics of the property rather than accidents of…Mohammed Mahshook, Rudra Banerjee·Jul 10, 2026SaveLearn
The Precursor Genome: A Pairwise Reaction Dataset for Solid-State SynthesisSolid-state reactions remain the dominant route to inorganic materials, yet no large, machine-readable dataset reports their experimental protocols and outcomes with consistent provenance; this gap…Lauren N. Walters, Matthew J. McDermott, Bernardus Rendy et al.·Jul 10, 2026SaveLearn
Bragg Interferometry of Moiré Superlattices: From Geometric Phase Principles to Atomic ReconstructionThe emergence of moiré superlattices formed by twisting and stacking two-dimensional materials has created a need for characterization techniques capable of mapping sub-angstrom atomic reconstruction…Isaac M. Craig, D. Kwabena Bediako·Jul 10, 2026SaveLearn
Approximate explicit formulas for Stoner-Wohlfarth hysteresis loopsApproximate explicit formulas for the hysteresis loops in the Stoner-Wohlfarth model are derived. We consider the hysteresis loops both for a single particle with a fixed easy-axis direction and for…Savin Vladimir P., Koksharov Yury A·Jul 10, 2026SaveLearn
Unraveling atomic-resolution valence electron energy-loss spectroscopic imaging in a single-crystal CaNb2O6Despite advancements in electron optics and spectrometer design over the past twenty years, atomic-resolution valence-electron energy-loss spectroscopy imaging remains challenging due to the…Sz-Chian Liou, Xiang-Lin Huang, Vladimir P. Oleshko et al.·Jul 10, 2026SaveLearn
Electronic manipulation of polar order in electron crystalWhen interaction among atoms or ions is strong enough, they often arrange periodically, forming a crystal. The arrangement patterns of atoms or ions can encode information, a concept that has enabled…Takashi Kikkawa, Ziyan Chen, Yuto Fujimoto et al.·Jul 10, 2026SaveLearn
Unlocking ultrafast spin dynamics in a rare-earth magnetThe speed of optically driven magnetization dynamics is fundamentally determined by how efficiently angular momentum can be transferred between electronic, spin and lattice degrees of freedom. In…Paul Herrgen, Christian Holzmann, Torben Manzke et al.·Jul 10, 2026SaveLearn
Semi-Empirical Kinetic Model for Phase Selection in Rapidly Solidified Multicomponent Concentrated AlloysA semi-empirical kinetic framework is formulated for predicting phase selection in multicomponent concentrated alloys under rapid solidification. The approach is based on the critical cooling rate…O. I. Kushnerov, S. I. Ryabtsev, V. F. Bashev·Jul 10, 2026SaveLearn
Learning to Converge: Warm-Starting DFTB Self-Consistent Charges with Machine LearningSemiempirical electronic structure methods such as Density-Functional Tight-Binding (DFTB) offer a computationally efficient approach to molecular and materials simulations, bridging the gap between…Maximilian L. Ach, Karsten Reuter, Chiara Panosetti·Jul 10, 2026SaveLearn
Kinetic Cellular Model of CorrosionAqueous corrosion of metals involves multiple interconnected processes. Thus, computer simulation of corrosion as a whole needs to be able to describe the individual processes and how they influence…Orkan Sezer, Andrew Horsfield·Jul 10, 2026SaveLearn
Computationally efficient method for determining limiting velocities of edge dislocations in anisotropic crystalsThe continuum-limit theory of dislocations in crystals predicts divergences in the elastic energy at crystal-geometry dependent limiting velocities vL. The vL separate subsonic, transonic, and…Daniel N. Blaschke·Jul 10, 2026SaveLearn
Ideal band structures for high-performance thermoelectric materials with band convergenceWe investigate optimal band structures in band-converged systems to achieve high zT using numerical calculations based on a virtual spectral conductivity model. We consider a two parabolic band…Yuya Hattori, Hidetomo Usui, Yoshikazu Mizuguchi·Jul 10, 2026SaveLearn
Computational Frameworks for Patterned Two-Dimensional MagnetismPatterned two-dimensional (2D) magnetic nanostructures constitute geometry-engineered spin systems in which exchange, anisotropy, dipolar coupling, and finite-size effects operate on comparable…Soham Chandra, Soumyajit Sarkar·Jul 10, 2026SaveLearn
Physics-grounded generative design of inherently stable, novel and controllable crystal structuresGenerative inverse design is reshaping the discovery of functional crystalline materials. Yet current generative models face challenges in simultaneously achieving stability, novelty, and precise…Zhilong Song, Qionghua Zhou, Chongyi Ling et al.·Jul 10, 2026SaveLearn
Growth of Highly Conductive PtSe2 Films Controlled by Raman Metrics for High-Frequency Photodetectors and Optoelectronic Mixers at 1.55 μmTwo-dimensional PtSe2 exhibits outstanding intrinsic properties such as high carrier mobility, tunable bandgap, broadband absorption and air stability, making it ideal for (opto)electronic…Eva Desgué, Ivan Verschueren, Marin Tharrault et al.·Jul 10, 2026SaveLearn
Fast Homoepitaxy on (100) eta-Ga2O3 Substrates with Large Grown-In OffcutThe choice of crystalline orientation and offcut angle is non-trivial for low-symmetry β-Ga2O3, where anisotropy impacts bulk and thin film synthesis, material properties, and power…M. Brooks Tellekamp, Drew Haven, David Joyce et al.·Jul 9, 2026SaveLearn
Interface-induced spin-resolved type-II band alignment and enhanced magnetic anisotropy in MSe2/WTe2 (M = V, Cr, Mn, Fe and Co) van der Waals heterobilayersTwo-dimensional van der Waals heterobilayers provide an attractive platform for the development of next-generation spintronic devices. Here, first-principles calculations are performed to investigate…Paras Poswal, Ranjit Pati, Neeraj Shukla·Jul 9, 2026SaveLearn