Systematic display of the spin splitting in band structures of representative altermagnetic crystalsIn this work we demonstrate a novel approach to exhibit the unique spin splitting that is typical of collinear altermagnets. This approach is to plot band structures on Brillouin zone paths that…Mesfin Eshete, Yujia Teng, Andrea Urru et al.·Sep 2, 2026SaveLearn
Understanding Graphene-Perovskite Interactions: From Flake Chemistry to Crystallisation and Solar Cell PerformanceGraphene-derivatives are widely employed materials to improve bulk and interface properties of metal-halide perovskite devices. Yet the implications of their flake chemistry and interactions with the…Oussama Er-Riyahi, Dorota Biernacka, Yating Guo et al.·Sep 2, 2026SaveLearn
From Goldene to Noblene: exhaustive enumeration of the ordered Au-Ag-Cu monolayer alloysTwo-dimensional metals became a laboratory reality with the isolation of Goldene, a gold sheet one atom thick released by chemical exfoliation, which raises the question of what alloying can achieve…Marcelo Lopes Pereira Junior·Sep 2, 2026SaveLearn
Spin Hall Magnetoresistance in Antiferromagnetic InsulatorsAntiferromagnetic materials promise improved performance for spintronic applications, as they are robust against external magnetic field perturbations and allow for faster magnetization dynamics…Stephan Geprägs, Matthias Opel, Johanna Fischer et al.·Sep 2, 2026SaveLearn
Colossal reversible conductivity switching by room-temperature oxygen-vacancy ordering in Aurivillius oxide filmsOxygen vacancies are central to the functionality of oxides, yet they typically exist as randomly distributed point defects, limiting the ability to precisely manipulate their collective behavior.…Song Zhou, Songge Zhang, Lanting Shi et al.·Sep 2, 2026SaveLearn
All-dry processing of 3C-SiC nanomechanical string resonators for extreme aspect ratios and high intrinsic quality factorConventional fabrication of suspended nanomechanical resonators typically relies on wet-chemical process steps and critical point drying, which can compromise sample yield and cleanliness. Here, we…Felix David, Philipp Bredol, Yannick S. Klaß et al.·Sep 2, 2026SaveLearn
A Wannier-first approach for extended chiral systemsWe present a real-space formulation of DFT for extended systems in which localized Wannier-like functions are constructed directly from localized Gaussian basis functions without explicitly computing…Yashpal Singh, Juan E. Peralta, Koblar A. Jackson et al.·Sep 2, 2026SaveLearn
'pySNOW': a Python Suite for the NanO-WorldIn computational materials science, numerical simulations are indispensable tools for revealing atomic-scale processes. For building blocks of the nanoworld, such as nanoparticles and nanoalloys,…Sofia Zinzani, Gilberto Nardi, Giacomo Becatti et al.·Sep 2, 2026SaveLearn
Spin wave freezing in Re/Co/Pt multilayersThe phenomenon of spin wave (SW) freezing occurs in the Damon-Eshbach mode in thin film magnetic systems, when SW phase and group velocities both go to zero, and the wave ceases to oscillate and…Jan Kisielewski, Kilian Lenz, Pawel Gruszecki et al.·Sep 2, 2026SaveLearn
Chemical pressure and vacancies in crystals under nonhydrostatic stressInhomogeneous stress is a driving force for diffusion of vacancies in crystals. The other way around a non-uniform distribution of vacancies induces stress. The accepted theory of composition-stress…Michiel Sprik·Sep 2, 2026SaveLearn
Symmetry-based modal analysis of heat transport in molecular dynamics of quasi-1D systemsDetailed analysis of thermal conductivity results obtained from molecular dynamics (MD) trajectories conventionally relies on knowledge of the harmonic vibrational modes of the system. This is the…Yu-Jie Cen, Sandro Wieser, Georg K. H. Madsen et al.·Sep 2, 2026SaveLearn
Magneto-Structural Coupling Enables Cryogenic Cation Redistribution in a Spinel OxideIonic transport in oxides is generally frozen at cryogenic temperatures, where thermal energy lies far below typical cation-migration barriers. Neutron powder diffraction reveals progressive Fe/Mg…Yifeng Han, Yixing Zhao, Yunbo Ou et al.·Sep 2, 2026SaveLearn
Ferroelastic domain switching by ultrafast photoinduced strainThe crystal lattice underpins the fundamental properties of condensed matter, with ferroic order emerging sensitively from atomic coordination. Manipulating the lattic therefore promises a direct way…Daniel G. Lourens, Maarten Kwaaitaal, Carl S. Davies et al.·Sep 2, 2026SaveLearn
Vitrification-Devitrification Enables Tunable Photonic and Gas Sorption Properties of Zeolitic Imidazolate FrameworksZeolitic imidazolate framework (ZIF) glasses represent an emerging family of melt-quenched glasses, which exhibit immense potential for applications in gas separation, energy storage, and optics.…Zhencai Li, Zihao Wang, Minhyuk Kim et al.·Sep 2, 2026SaveLearn
Linker Functionalization and pH Tuning Enhance Solar-Driven Catalytic CO2 Reduction in MOF-5The wide band gap of metal-organic framework (MOF) 5 constrains its use in photocatalytic carbon dioxide (CO2) reduction despite its high porosity and favorable mass-transport properties. Adopting…Julia Santana-Andreo, Joshua Edzards, Surender Kumar et al.·Sep 2, 2026SaveLearn
Decoding Oxygen K-edge Fingerprints of NCM-811 Degradation via Ab Initio Many-Body Theory and High-Throughput Screening of Crystal ProxiesThe degradation of LiNi0.8Co0.1Mn0.1O2 (NCM-811) in Li-ion batteries produces complex transition-metal oxides and binary phases that fundamentally limit cathode performance. While…Daniel Duarte-Ruiz, Timo Reents, Elmar Kataev et al.·Sep 2, 2026SaveLearn
The Locality Cost of Fully Flat Hopf InsulatorsHopf topology permits a strictly finite-range Hamiltonian with one exactly flat topological band. We prove, however, that extending flatness to the complete two-band spectrum necessarily sacrifices…Feng Liu, Qifeng Liang, Wenlong Gao·Sep 2, 2026SaveLearn
Charge-Transfer Electronic Structure of NiX2 (X = S, Se)We investigate the electronic structures of NiS2 and NiSe2 using density functional theory combined with dynamical mean-field theory (DFT+DMFT). A realistic electronic structure within DFT+DMFT…Atsushi Hariki, Takaki Okauchi, Daisuke Takegami et al.·Sep 2, 2026SaveLearn
EuIn2Sb2: epitaxially stabilized axion insulator candidate with strong spin-orbit couplingEu triangular lattice layer compounds described by the general formula EuA2X2 have attracted growing attention due to a wide range of layered crystal structures and corresponding magnetic topological…Hsiang Lee, Shinichi Nishihaya, Markus Kriener et al.·Sep 2, 2026SaveLearn
Symmetry-enforced third-order nonlinear thermal Hall effects in altermagnetsThermal Hall effect (THE) is a powerful probe of material properties, even in insulators. Here we investigate the thermal response of altermagnets by developing a theory on Berry curvature driven…Yun-Mei Li, Jiacheng Yao, Hua Wang et al.·Sep 2, 2026SaveLearn
Machine-learning screening and first-principles lattice dynamics resolve the most stable structure of NaCa(BH4)3 from a data-driven candidate searchEquimolar NaCa(BH4)3 offers a theoretical hydrogen capacity of 11.24 wt.% and a decomposition enthalpy expected to fall between those of NaBH4 and Ca(BH4)2, but it has never been…Sanaa Ismail, Ricardo Amaral, Attia A. Gadallah et al.·Sep 2, 2026SaveLearn
FrOGS: Discrete Neural Sampler for Independent Alloy Configurations Across Chemical ConditionsPredicting the thermodynamic properties of an alloy requires sampling its configurations across many chemical conditions and recovering free energies on a common absolute scale. Markov chain Monte…Kyucheol Min, Elyssa Hofgard, Tess Smidt·Sep 1, 2026SaveLearn
Machine Learning Local Potentials for Accelerated Electron-Phonon Interactions Calculations within the Projector Augmented-Wave FrameworkElectron-phonon interactions govern carrier dynamics, transport, and many optical and quantum phenomena in solids, but finite-displacement calculations within the projector augmented-wave (PAW)…Yi Xia·Sep 1, 2026SaveLearn
Morphology and Dynamics of Self-interstitial Clusters in Irradiated NickelSelf-interstitial atom (SIA) clustering is a key early step in radiation damage evolution in face-centered cubic (FCC) metals, governing defect transport, recombination, and the long-term…Ajay Annamareddy, Ibrahim Momohjimoh, Hangyu Li et al.·Sep 1, 2026SaveLearn
Molecular spin qubits in a van der Waals bottleAdvancing quantum information technologies requires qubits whose coherence can be precisely engineered. Among the qubit platforms in development, molecular spin qubits (MSQs) stand out for their…Anna Champ, Eleanor Mackintosh, André Koch Liston et al.·Sep 1, 2026SaveLearn