Quantum metric-induced generalized magneto-optical effects in PT-symmetric antiferromagnetsThe magneto-optical effects (MOEs), as fundamental physical phenomena, can reveal the electronic structures of materials. The related probing methods are widely used in the study of magnetic…Yongpan Li, Yichen Liu, Cheng-Cheng Liu·Jun 30, 2026SaveLearn
Computed materials proposals depart from the structural memory of experimental discoveryGenerative AI and high-throughput DFT pipelines propose millions of inorganic crystal structures, but lack a calibrated reference frame against experimentally realized chemistry. Here we embed…Dan Nguyen, Karen Cao, Brian Chu et al.·Jun 29, 2026SaveLearn
Prebiotic Chemistry Assemblies of L-Cysteine on Defect-Free Pyrite TerracesWächtershäuser's theory proposes iron-sulfur minerals as key platforms for molecular synthesis and supramolecular organization in prebiotic environments. However, defects have been traditionally…Adriana E. Candia, Sindy J. Rodríguez, Vanina G. Franco et al.·Jun 29, 2026SaveLearn
Role of polarity in the growth of cubic GaN within silicon inverted pyramidsA lack of spontaneous internal polarization makes cubic GaN (c-GaN) a well-suited material for emerging micro-LED-based short-range communication, where c-GaN promises increased speed over…David Lister, Melissa Radford, Sara Fortin et al.·Jun 29, 2026SaveLearn
Family of (NxH)-polytypes with La2WO6-related stoichiometryStructure and chemical composition of non-stoichiometric (N × H)-polytypes, N ∈ \3,\,4,\,5,\,6,\,7\, belonging to the family of La2WO6-related tungstates, are presented…E. Pospíšilová, M. Mihalkovič, N. Beronská et al.·Jun 29, 2026SaveLearn
Bridging electrode preparation and electrocatalyst performance with physics-based causal AIState-of-the-art artificial intelligence (AI) and Machine-Learning (ML) tools have not yet enabled rapid design of next-generation materials. Detailed physical understanding of how material…Evelyna Wang, Linda Hung, Sam Witty et al.·Jun 29, 2026SaveLearn
Adaptive fine-tuning of foundation models for crystal structure prediction: Discovery of high-pressure phases in the CaFeNi systemThe prediction of crystal structures is a key challenge in chemistry and materials science, but evolutionary crystal structure prediction (CSP) remains computationally expensive because it relies on…N. M. Chtchelkatchev, M. V. Magnitskaya, R. E. Ryltsev·Jun 29, 2026SaveLearn
Excitons in Large Disordered Boron-Nitride Layer using Linear-Scaling Bethe-Salpeter SimulationsWe introduce a real-space, linear-scaling Bethe-Salpeter framework that enables excitonic spectroscopy in large and possibly disordered boron-nitride-derived systems. Thanks to the use of a…Thomas Galvani, Lorenzo Sponza, Hakim Amara et al.·Jun 29, 2026SaveLearn
Synthesizability and Mechanical Properties of High-Entropy Borides: First-Principles and Machine Learning StudiesWe perform density functional theory (DFT) calculations to investigate five-metal high-entropy borides (HEBs) in the hexagonal AlB2 structure, considering all 126 possible elemental combinations…Luke Moore, Ethan Fox, Bria Storr et al.·Jun 29, 2026SaveLearn
Spontaneous Symmetry Breaking and Emergent Helicity in Achiral D4h-Symmetric Zinc Phthalocyanine CondensatesHerein it is shown spontaneous symmetry breaking in supramolecular aggregates of D4h-symmetric zinc phthalocyanine (ZnPc). Ab initio density functional theory calculations at the M06/DGDZVP level…Bruno S. Zanatta, Giovani B. de Oliveira, Marcos E. G. Carmo et al.·Jun 29, 2026SaveLearn
Mechanical Manipulation of Graphene Auto-Kirigami with an AFM tipGraphene auto-kirigami describes the thermodynamically self-driven tearing, sliding and folding of graphene sheets to form micrometre-scale, folded ribbons. However, this process typically requires…Pierce C. Sinnott, Majid Fazeli Jadidi, Graham L. W. Cross·Jun 29, 2026SaveLearn
Hidden Defect Chemistry in Ion-Irradiated MoS2 Field-Effect Transistors Revealed by Photocurrent LossDefect engineering in monolayer MoS2 is a promising route to tune field-effect transistors (FETs), but the electronic response of defects in processed devices can be masked by contacts, substrate…L. Daniel, D. Sutarma, L. Klieve et al.·Jun 29, 2026SaveLearn
Bayesian model comparison of type-I and type-II ultrafast demagnetization dynamicsUltrafast demagnetization dynamics are often phenomenologically classified into type-I and type-II responses according to their temporal evolution following femtosecond laser excitation. However,…Hiroki Wadati, Tetsuro Ueno·Jun 29, 2026SaveLearn
Boron-assisted stabilization of low-resistivity mixed-valence Cu-O thin films prepared by reactive magnetron sputteringThis study systematically investigated the influence of boron incorporation in Cu-O thin films and the effect of oxygen partial pressure (p ox) on the phase evolution, chemical bonding, and…Nirmal Kumar, Jemal Yimer Damte, Michal Procházka et al.·Jun 29, 2026SaveLearn
Ferroelastic domain wall motion and collective domain switching in RbSCNLow frequency (0.05 - 40 Hz) dynamic elastic measurements and resonant ultrasound spectroscopy measurements (100-600 kHz) of RbSCN have been performed in the temperature region of the order-disorder…V. Soprunyuk, A. Tröster, J. Pils et al.·Jun 29, 2026SaveLearn
A parsimonious structure model for the icosahedral quasicrystal Cd5.7YbA compact structure model for the icosahedral phase Cd5.7Yb is presented. The model is based on a higher-dimensional description and a cut-and-projection procedure to generate the atom distribution…Michael Feuerbacher·Jun 29, 2026SaveLearn
Consistent transition model for Bi0.5Na0.5TiO3 from temperature-dependent structural and electrical propertiesBNT based solid solutions are promising parent materials for lead free dielectric capacitors, thanks to their high recoverable energy densities and breakdown strengths. However, the ambient…Thomas Fourgassie, Omar Ibder, Cosme Milesi-Brault et al.·Jun 29, 2026SaveLearn
Field-induced topological Hall effect and butterfly-shaped magnetoresistance in the centrosymmetric antiferromagnet EuAuAsThe coupling between magnetic and electronic degrees of freedom gives rise to a variety of intriguing transport phenomena. Among them, the topological Hall effect, originating from the real-space…Yu Zhang, Junfa Lin, Huan Wang et al.·Jun 29, 2026SaveLearn
Ferron Hall effect: Transverse accumulation of polarization driven by thermal gradients in ferroelectricsThe phonon Hall effect describes the generation of a transverse heat current in response to a longitudinal thermal gradient in a magnetic field. Here, we theoretically demonstrate that, when the…Daniel A. Bustamante Lopez, Verena Brehm, Dominik M. Juraschek·Jun 29, 2026SaveLearn
The substitutional atomic distance model for predicting lattice thermal conductivity in alloysUnderstanding phonon transport in alloys is crucial for the design of high-performance electronic and thermoelectric devices. However, conventional theoretical models fail to provide a clear physical…Zhicheng Zong, Tianhao Li, Shixian Liu et al.·Jun 29, 2026SaveLearn
Atomically Thin Amorphous Carbon with an Ultralow Dielectric ConstantTwo-dimensional (2D) materials exhibit excellent properties at monolayer thickness and are viable replacements for various microelectronic components as scaling gradually approaches the atomic limit.…Chee-Tat Toh, Artem K. Grebenko, Ugur Karadeniz et al.·Jun 29, 2026SaveLearn
Optimizing Expert-Designed Crystal Graph Networks for Band-Gap Prediction with an Autonomous LLM Research LoopPredicting a material's properties from its structure is a central, fast-advancing problem in computational materials science. A decade of work has produced standard public benchmarks and many…Chenmu Zhang, Boris I. Yakobson·Jun 29, 2026SaveLearn
Vacancy-mediated nitrogen diffusion and aggregation via high-fluence electron beam irradiation in HPHT synthesized diamond crystalThe negatively charged nitrogen vacancy (NV-) center in diamond is a promising point defect for highly sensitive quantum sensing. The formation of high-density NV- centers is essential for improving…Chikara Shinei, Yuta Masuyama, Jun Chen et al.·Jun 29, 2026SaveLearn
Computational references are not experiments: pre-registered validation of machine-learned sodium-cathode voltagesMachine-learning screens for battery materials are trained and judged almost entirely against computed reference voltages, and those references carry their own systematic errors. We report a case in…Krishna Teja Vepa·Jun 29, 2026SaveLearn
Accelerated Inorganic Electrides Discovery by Generative Models and Hierarchical ScreeningElectrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high…Shuo Tao, Qiang Zhu·Jun 29, 2026SaveLearn