Designing explicit functionals for the charge density in terms of a potentialOne of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron gas in order to…Muhammed H. Güneş, Ayoub Aouina, Vitaly Gorelov et al.·Jul 31, 2026SaveLearn
A unified equation for saturation magnetization and spin transport in weakly disordered ferromagnetsIn this report, a unified description of the loss of saturation magnetization in the presence of a distribution of finite-size effects is provided for weakly disordered spin-1/2 ferromagnets. This…Sumanta Mukherjee·Jul 31, 2026SaveLearn
Observation of electromagnons in a monolayer multiferroicVan der Waals multiferroics have emerged as a promising platform to explore novel magnetoelectric phenomena. Recently, it has been shown that monolayer NiI2 hosts robust type-II multiferroicity…Mohammad Amini, Tiago V. C. Antão, Liwei Jing et al.·Jul 31, 2026SaveLearn
Thermal and structural properties of iron at high pressure by molecular dynamicsWe investigate the basic thermal, mechanical and structural properties of body centred cubic iron (α-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in…Kostadin G. Gaminchev·Jul 31, 2026SaveLearn
Automating the analysis of micron-scale synchrotron diffraction data on inhomogeneous polycrystalline samples: a solid oxide electrolysis cell case studyA novel approach to post mortem characterisation of electrochemical and photovoltaic devices is spatially-resolved diffraction using a hyper-focused, micron-width x-ray beam to examine the…Liam A. V. Nagle-Cocco, Christopher A. Crain, Michael J. Dzara et al.·Jul 30, 2026SaveLearn
An End-to-End Differentiable Forward Model for High-Energy Diffraction MicroscopyHigh-Energy Diffraction Microscopy (HEDM) recovers crystallographic orientation, strain, and grain position from rotating-crystal X-ray diffraction patterns. Existing forward models in far-field…Hemant Sharma, Nina Andrejevic, Simon Zhang et al.·Jul 30, 2026SaveLearn
Ultrafast Nonthermal Lattice Destabilization and Suppression of Polar Optical Scattering in Electronically Excited α-SiO2 from First-Principles and Deep Neural Network Potential ModelingWe present a multiscale first-principles-to-machine-learning approach to investigate ultrafast lattice dynamics in electronically excited α-SiO2. Ab initio molecular dynamics (AIMD) based on…Iyyappa Rajan Panneerselvam, Mark Yeung, Charlotte Palmer et al.·Jul 30, 2026SaveLearn
Giant Exfoliation Induced Magnetic Coercivity in Fe3GaTe2Permanent magnets with strong anisotropy and high coercivity underpin modern information and energy technologies, yet rare-earth-free alternatives remain limited. Here, we show that thickness…Lingrui Mei, PeiYu Cai, Sang-Eon Lee et al.·Jul 30, 2026SaveLearn
Open-Shell Molecules as Sensitive Probes of Spin-Orbit-Controlled Surface Electronic StructureOpen-shell molecules are highly sensitive probes of correlated oxide surfaces because their partially occupied frontier orbitals strongly amplify subtle changes in adsorbate-substrate hybridization.…Solange Mariel Di Napoli, Alexei Nefedov, María Andrea Barral et al.·Jul 30, 2026SaveLearn
Electrical Control over Volatile Mott Switching through Non-Volatile Memory EffectsVanadium Dioxide (VO2) and Vanadium Sesquioxide (V2O3) are Mott insulators that undergo an Insulator-to-Metal Transition (IMT) at ~340K and ~160K, respectively, manifested as an orders-of-magnitude…Amihai Kronman, Gil Levi, Yoav Kalcheim·Jul 30, 2026SaveLearn
Local B-site chemistry controls oxygen-vacancy energetics in Ca-Ce-Ti-Mn perovskites for thermochemical hydrogen productionTwo-step thermochemical water splitting driven by concentrated solar heat is a scalable route to renewable hydrogen, but it requires oxides whose oxygen-vacancy formation energies balance facile…Manish Kumar, Natalia Ali, Matthew D. Witman et al.·Jul 30, 2026SaveLearn
Symmetry Rules for Cavity Materials Engineering with Linearly Polarized Vacuum FieldsCavity materials engineering, aiming to manipulate material properties by coupling to vacuum fluctuations inside a cavity, is a rapidly advancing field. Despite significant progress, most studies to…Jingkai Quan, Chongxiao Fan, Benshu Fan et al.·Jul 30, 2026SaveLearn
Drumhead Surface States of Rhombohedral Graphite with Near Ideal Quantum Geometry ConditionThe ideal quantum geometry (IQG) condition of equal magnitude between quantum metric (G(k)) and Berry curvature (Ω(k)) as in |Ω|/TrG=1 has been associated with realizing fractional Chern…Lin-Lin Wang·Jul 30, 2026SaveLearn
Transport Evidence of Magnetic Polarization in the Altermagnetic Candidate MnTeThe ability to precisely control magnetic properties is central to the development of future spin-based electronics. In this work, we report the successful growth of epitaxial α-MnTe thin films on…Younes Ghorbani, Nayana Devaraj, Joshua Maile et al.·Jul 30, 2026SaveLearn
Hydration-Controlled Layer Stacking in (NH3)2Cu5(SeO3)2(OH)6(H2O)2+x (x = 0, 1, and 3)Hydration and dehydration are powerful yet underexplored variables for controlling the architecture of layered inorganic materials, because intercalated water can modify interlayer separation,…Priya R. Baral, Christian Jandl, Pauline Pradal et al.·Jul 30, 2026SaveLearn
Quasiparticle phono-conversion: filming carriers coalescing into excitonsCondensed matter physics is replete with phenomena involving high-energy free particles coalescing into low-energy bound few-particle states. While the cooling of the individual particles is well…Enrico Perfetto, Takumi Fukuda, Xing Zhu et al.·Jul 30, 2026SaveLearn
Charge-to-spin conversion in epitaxial and polycrystalline Bi and Bi/Ag layersBi is predicted to be an efficient generator of spin-orbit torques (SOTs), with charge-to-spin conversion efficiency comparable to those of prototypical heavy metals, such as Ta, W, and Pt. However,…Federica Nasr, Emir Karadža, Santos F. Alvarado et al.·Jul 30, 2026SaveLearn
Intertwined magnetoresistance and Hall multifunctionality in a non-coplanar magnetic Weyl semimetal DyB4Anomalous magneto-transport responses provide complementary probes of orbital motion, momentum-space topology, and real-space spin chirality, yet their integration into a single material remains rare…Long Chen, Yulin Shen, Songxue Chi et al.·Jul 30, 2026SaveLearn
"Anomalous Solid Solution" in Ultra-High Melting Point Oxides: A New Strategy for Developing Ultra-High Temperature Thermal Protection CoatingsThe high-temperature performance of ultra-high temperature ceramics (UHTCs) in atmospheric environment is fundamentally governed by their melting points of oxidation products. Typical…Yubo Wang, Hong Meng, Pengfei He et al.·Jul 30, 2026SaveLearn
Negative Thermal Expansion in Cubic Ice: A Collective Quantum Effect of the hydrogen-bond networkWe report neutron powder diffraction measurements and path-integral molecular dynamics simulations of stacking-disorder-free cubic ice Ic, produced by topotactic degassing of C2 hydrogen hydrate.…Loan Renaud, Tomasz Poreba, Richard Gaal et al.·Jul 30, 2026SaveLearn
Mapping the influence of symmetry breaking in structure-property relationships of ABO3 perovskitesPerovskite oxides have emerged as an important class of material with promising energy applications owing to their compositional and structural flexibility, which enables stabilization of both low-…Panupol Untarabut, Sylvian Cadars, Fabien Pascale et al.·Jul 30, 2026SaveLearn
PASS: Perturbation augmented space group structure sampling for transferable Fe-O machine learning interatomic potentialAccurate atomistic modelling of iron (Fe) oxidation requires a reliable interatomic potential, which necessitates an extensive and representative first-principles dataset for training the interatomic…Zixiong Wei, Fei Shuang, Poulumi Dey·Jul 30, 2026SaveLearn
STM study of single phosphorus incorporation into silicon by heating PBr3 on Si(100)The objective of miniaturizing doped areas in silicon, with the ultimate goal of achieving atomic-precision doping, requires a fundamental understanding of the dopant incorporation process at the…Tatiana V. Pavlova, Vladimir M. Shevlyuga·Jul 30, 2026SaveLearn
Oxygen Sensing Without Organic Molecules: Mixed-phase TiO2 as Cost-effective Ultrasensitive Optical SensorsOxygen (O2) detection is commonly carried out via either fluorescence-based optical sensors or chemoresistive sensors. Each approach has its own limitations. Optical sensors require the molecular…R. Rega, A. Fioravanti, F. Borbone et al.·Jul 30, 2026SaveLearn
High-Field EPR/ENDOR of N/Be Centers for Defect Engineering in 6H-SiCSilicon carbide (SiC) in its various structural modifications is widely used in power semiconductor electronics, operating under extreme conditions of high temperature, high voltage, and intense…Yuliya Ermakova, Ekaterina Dmitrieva, Margarita Sadovnikova et al.·Jul 30, 2026SaveLearn