Hybrid DiffractGPT-Rietveld Refinement Framework for Automated X-ray Diffraction AnalysisX-ray diffraction (XRD) is fundamental to structural materials characterization, yet transforming a raw powder pattern into a refined crystal structure still demands considerable domain expertise. We…Charles Rhys Campbell, Justin Ely, Jaehyung Lee et al.·Jul 9, 2026SaveLearn
High density two-component glasses of organic semiconductors prepared by physical vapor depositionPhysical Vapor Deposition (PVD) is widely utilized for the production of organic semiconductor devices due to its ability to form thin layers with exceptional properties. Although the layers in the…Yejung Lee, Shinian Cheng, M. D. Ediger·Jul 9, 2026SaveLearn
Grain-boundary-mediated kinetic arrest in graphite-to-diamond transformationThe graphite-to-diamond transition exhibits striking variability under high-pressure, high-temperature (HPHT) conditions, producing diamond, graphitic phases, or metastable, mixed diamond-graphite…Zuzanna Malinowska-Trzmielak, Vilmos Neuman, Mark Wilson·Jul 9, 2026SaveLearn
Ferroelastic instability in rutile TiO2 and thermodynamic suppression of the CaCl2-type phaseWe investigate the role of the CaCl2-type (Pnnm) phase in the high-pressure transformation of rutile TiO2, whose experimental signature has remained elusive. While analogies with other rutile-type…Jared Pohlmann, Anjy-Joe Olatunbosun, Kenneth Park·Jul 9, 2026SaveLearn
Complex polar superstructure controlled thermal conductivity in ferroelectric PbTiO3/SrTiO3 superlatticesIntegrating epitaxial thin films of ferroelectric PbTiO3 and paraelectric SrTiO3 into artificially layered periodic superlattices provides a unique platform for tuning strain, depolarization, and…Noa Varela-Domínguez, Marcel S. Claro, Araceli Gutiérrez-Llorente et al.·Jul 9, 2026SaveLearn
Microwave Studies of Single Crystal TeO2 at Cryogenic TemperaturesWe use whispering-gallery-mode analysis to characterise the microwave dielectric properties of single-crystal TeO2 at cryogenic temperatures and compare its loss performance with other low-loss…Timothy Holt, Maxim Goryachev, William Campbell et al.·Jul 9, 2026SaveLearn
Best Practices for First-Principles Modeling of Amorphous Oxide Semiconductors: A Statistical Framework and Application to Zn-Sn-OTernary and quaternary amorphous oxide semiconductors have many properties that make them promising candidates for use in electronic applications like display, memory, and back end of line logic.…Michiel J. van Setten, Tonglin L. Newsom, Christopher Pashartis et al.·Jul 9, 2026SaveLearn
Physical aging of glasses of an organic semiconductorAll glasses, including organic semiconductor glasses, are non-equilibrium materials whose properties will change with time. This physical aging process is poorly understood for organic…Shinian Cheng, Kritika Jha, Zijian Wang et al.·Jul 9, 2026SaveLearn
Harnessing orbital Hall effect for energy-efficient magnetization switching in room-temperature van der Waals ferromagnet Fe3GaTe22D van der Waals (vdW) magnets provide new opportunities for spin-orbit torque magnetoresistive random-access memory (SOT-MRAM) due to their unique properties. Electrically manipulating the…Chenhui Zhang, Hua Bai, Yuchen Pu et al.·Jul 9, 2026SaveLearn
Large-scale first-principle simulations of amorphous indium oxideAmorphous indium oxide (a-In2O3) is a high-electron-mobility semiconductor of central importance in thin-film transistors and a promising photoanode for solar-driven water oxidation. Despite…Matthew Bousquet, Francois Gygi, Giulia Galli·Jul 9, 2026SaveLearn
An Efficient Method for Gibbs Free Energy Evaluation under Volume CompressionAccurate evaluation of Gibbs free energies is essential for constructing pressure-temperature phase diagrams. Conventional methods based on the quasi-harmonic approximation (QHA) require phonon…Zhiyuan Gao, Yong Yang, Yoshiyuki Kawazoe·Jul 9, 2026SaveLearn
Barnett effect generated by a rotating electric field in a ferromagnetic filmWe investigate the space-time evolution of the magnetization induced in a 2D ferromagnetic island by a short pulse of a rotating electric field. The field generates elastic twists that act on the…Jorge F. Soriano, Eugene M. Chudnovsky·Jul 9, 2026SaveLearn
A crystal-field route to THz-driven magnetizationLight carries angular momentum, but the microscopic pathways that transform it into magnetization remain elusive. Here we establish that crystal-field excitations, historically viewed primarily as…T. Zalewski, M. S. Mrudul, Y. Lee et al.·Jul 9, 2026SaveLearn
PhononScore: a phonon-aware scoring function for dynamical stabilityIn recent years, crystal generation models have enabled the design of massive numbers of candidate materials. However, the lack of dynamical stability among generated structures has become a major…Xiao-Qi Han, Ze-Feng Gao, Zhong-Yi Lu·Jul 9, 2026SaveLearn
Exciton valley depolarization in monolayer MoS2: non-Markovian quantum dynamics, intervalley scattering, and the breakdown of the Dyakonov-Perel mechanismIn monolayer transition metal dichalcogenides, exciton valley relaxation is typically attributed to the Dyakonov-Perel (DP) mechanism, where frequent intravalley scattering with phonons or defects…Yang-hao Chan, Jonah B. Haber, Mit H. Naik et al.·Jul 9, 2026SaveLearn
Quantum weight and low-loss EELS signatures of Wannier quantum geometry in black phosphorusQuantum geometry is now experimentally accessible in crystalline solids, with black phosphorus providing a key platform through polarization-resolved angle-resolved photoemission spectroscopy. We…Vinayak M. Kulkarni, Sharona Horta·Jul 9, 2026SaveLearn
Polycrystalline ferroelectric croconic acid for multisource environmental energy harvestingThe development of organic ferroelectric materials through scalable and simplified fabrication routes remains a major challenge for next-generation energy-harvesting technologies. Here,…Gloria P. Moreno-Martínez, Hari K. Mishra, Xabier García-Casas et al.·Jul 9, 2026SaveLearn
Bright and Dark Excitons in CrSBr: Local Ligand-Field Character and Band-Coherent Optical Selection RulesMagnetic van der Waals semiconductors such as CrSBr host an intricate exciton landscape whose physical interpretation has converged only recently. A many-body Feynman diagrammatic approach based on…Swagata Acharya, Jessica McDivitt, Dimitar Pashov et al.·Jul 9, 2026SaveLearn
Bond, orbital and spin order in d4/d6/d7 perovskite oxides: successes and limitations of foundation interatomic potentialsFoundation machine-learning interatomic potentials (MLIPs) are rapidly replacing density-functional theory (DFT) for modeling structure and nuclear dynamics, making their fidelity in strongly…Swagata Acharya, Dimitar Pashov, Mark van Schilfgaarde et al.·Jul 9, 2026SaveLearn
Interplay between Electronic Structure, Chemical Bonding, and Lattice Symmetry in Bismuth VanadateBismuth vanadate (BiVO4) is a prototypical oxide photocatalyst that occurs in both tetragonal and monoclinic scheelite phases with markedly different photocatalytic and photoelectrochemical…Philip Schwinghammer, Franziska S. Hegner, Frederico P. Delgado et al.·Jul 9, 2026SaveLearn
Nonlocal Electrostatic Origin of Schottky-Barrier Variability in 2D ContactsElectrical contacts often limit the performance of atomically thin semiconductor devices. The Schottky barrier height (SBH) is conventionally treated as a local interface property, yet reported…Hangbo Zhou, Yong-Wei Zhang·Jul 9, 2026SaveLearn
Phase stability and ionic transport in post-spinel CaV2O4 cathodeCalcium-ion batteries (CBs) represent an alternative to lithium-ion technology but their advancement is limited by the lack of high-performance intercalation cathodes. Identified via computational…Dereje Bekele Tekliye, Javeed Ahmad Dar, Gopalakrishnan Sai Gautam·Jul 9, 2026SaveLearn
Perpendicular magnetic anisotropy tuning of macrospin-to-vortex transitions in Co-based artificial spin-vortex iceWe investigate the macrospin-to-vortex (MS-to-V) transition in Co-based artificial spin-vortex ice (ASVI) in the presence of perpendicular magnetic anisotropy (PMA) by spin-wave spectroscopy.…Yu Maruyama, Amrit Kumar Mondal, Bijaya Kharel et al.·Jul 9, 2026SaveLearn
Helically Enhanced Chiroptical Response and Symmetry Breaking in Conjugated PolymersChiral π-conjugated polymers are an attractive material platform for spin polarized carrier-transport and spectroscopy, but fundamental considerations for how torsional disorder influences the…Aaron Forde, Braden M. Weight, Prashanna Poudel et al.·Jul 9, 2026SaveLearn
Interfacial chirality-induced magnetic-field-free switching with high energy efficiency in all-vdW heterostructuresChirality, a central concept across many scientific disciplines, continues to inspire the discovery of novel physical phenomena. In condensed matter physics, structural chirality - defined by the…Kai-Xuan Zhang, Suik Cheon, Seungbok Lee et al.·Jul 9, 2026SaveLearn