Singular geometry and eigenframe topology in local rank-2 tensor observablesMany observables are symmetric second-rank tensors, reported through magnitude-ordered principal values and axes. This chart folds tensor space: the parameters develop cusps and exchange labels where…I. C. J. Yap, B. Doerschel, S. Q. Jin et al.·Aug 2, 2026SaveLearn
Long lived localized defect states in monolayer WSe2: Optical Lifetime distribution and thermal evolutionWe carefully investigate the recombination dynamics of localized defect emission in monolayer WSe2 on SiO2/Si substrate using time-resolved photoluminescence over the temperature range of 4 K…Immanuel Thekkooden, Susmitha Jana, Mrinal Deka et al.·Aug 2, 2026SaveLearn
Dislocation-loop formation is a first-order phase transitionDislocation loops are the elementary product of radiation damage in crystals, limiting reactor-component lifetimes, power-electronics reliability and the coherence of solid-state qubits. Their…Xiaoya Chang, Arsalan Hashemi, Nima Ghafari Cherati et al.·Aug 2, 2026SaveLearn
Pyroelectric and electrocaloric properties of core-shell HfxZr1-xO2 nanoparticles: theory and experimentNanosized hafnia-zirconia (HfxZr1-xO2) in the form of thin films, multilayers, and nanoparticles is one of the most promising CMOS-compatible ferroelectric materials for advanced electronic memories…Anna N. Morozovska, Oleksandr S. Pylypchuk, Nicholas V. Morozovsky et al.·Aug 2, 2026SaveLearn
Room-temperature shape-memory effect in Sr(Ni1-xCux)2P2The compound SrNi2P2 can exhibit multiple crystal structures with no P-P pairs bonded (uncollapsed tetragonal, or ucT, state), with one-third of the P-P pairs bonded (one-third collapsed…Juan Schmidt, Alexander J. Horvarth, Seok-Woo Lee et al.·Aug 2, 2026SaveLearn
Crystallographic Challenges in Microscopy of Multidomain Spinel MaterialsElectron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that are needed to…Ninon Scherz, Shashwat Anand, Colin Ophus et al.·Aug 2, 2026SaveLearn
Ultrafast dynamics of atomic correlated disordering in photoinduced VO2Recent experiments suggest that atomic disordering dynamics are more universal than conventional coherent processes in photoinduced phase transitions (PIPTs), yet its mechanism remains unclear. Using…Wen-Hao Liu, Feng-Wu Guo, Lin-Wang Wang et al.·Aug 2, 2026SaveLearn
Non-relativistic spin splitting in a triangular metal-excess magnet Fe1+δSbNon-relativistic spin-splitting (NRSS) antiferromagnets have recently emerged as an important class of magnetic materials that combine compensated magnetism with momentum-dependent spin splitting,…Chao-Chun Wei, Xiaojuan Ni, Sophia Adams et al.·Aug 1, 2026SaveLearn
A Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered OrbitalsWe present a large-scale parallel implementation of fully relativistic density functional theory (DFT) for both molecules and periodic solids, using the quasi-four-component (Q4C) method and numeric…Wentao Zhang, Rundong Zhao, Volker Blum·Aug 1, 2026SaveLearn
High-speed and high-gain graphene photovoltaic phototransistor gated by a van der Waals heterojunctionTwo-dimensional (2D) material-based phototransistors offer a unique combination of optical sensing, signal amplification, and logic operation within a single device, yet fundamentally suffering from…Yihan Yin, Jiayi Zhang, Xiaolong Zhang et al.·Aug 1, 2026SaveLearn
Conditional grain-graph diffusion for property-guided inverse design of polycrystalline microstructuresGraph representations compactly encode polycrystalline microstructures while retaining grain topology and grain boundary information. We present a conditional graph diffusion framework for…Yuheng Zhou, Xiao Shang, Huicong Chen et al.·Aug 1, 2026SaveLearn
Reconstruction-Dependent Imaging, Reactivity and Local Reduction of the CeO2(100) surfaceThe possibility of mapping the local reactivity and reduction state to the atomic structure of chemically active oxide surfaces opens new avenues for further understanding of catalysis. Here, we…Kyungmin Kim, Manuel González Lastre, Estefanía Fernández-Villanueva et al.·Aug 1, 2026SaveLearn
Ultrahigh Intrinsic Hole Mobilities in MN2 (M= Mo and W) at Room TemperatureHigh-mobility p-type semiconductors are essential for advanced electronic devices but remain scarce. Here, using a hierarchical screening framework that combines first-principles calculations with…Zhongjuan Han, Rong-Tian Pang, Wu Xiong et al.·Aug 1, 2026SaveLearn
Uncertainty-guided active learning for surrogate prediction of stream-finishing wear fieldsIn stream finishing, the wear experienced by a workpiece depends strongly on its orientation within the rotating abrasive media. Determining suitable orientations to achieve uniform wear requires…Anand Kumar, Puli Saikiran, Vineet Dawara et al.·Aug 1, 2026SaveLearn
Spin- and Angle-resolved Photoelectron Spectroscopy Study of the Quantum Spin Hall Insulator Bismuthene and its Precursor PhaseRecent studies have revealed that a confined bismuth layer at the graphene/SiC interface can be reversibly switched between a topologically trivial precursor phase and the quantum spin Hall insulator…Niclas Tilgner, Andres David Peña Unigarro, Susanne Wolff et al.·Aug 1, 2026SaveLearn
Machine Learning Compatible CALPHAD-type Optimization from Phase Equilibria by Auto-differentiationTo accurately determine phase boundaries and phase transitions, thermodynamic models that describe free energies of phases often have to be optimized based on experimentally observed phase…Wenhao Zhang, Jean-Claude Crivello, Yusuke Matsuoka et al.·Aug 1, 2026SaveLearn
The AFLOW Library of Crystallographic Prototypes: Part 5The AFLOW library of crystallographic prototypes has been updated to incorporate an additional 344 entries, which now reaches 2,127 prototypes. ICSD and CCDC numbers have been added to the website…Nicholas H. Anderson, Michael J. Mehl, Hagen Eckert et al.·Aug 1, 2026SaveLearn
An essay on d0 in neutron-based strain measurement techniques: equilibrium-based methods for non-destructive d0 estimationDetermination of the stress-free reference lattice spacing, d0, is a central and often underestimated difficulty in diffraction-based strain measurement. Although commonly treated as a material…Christopher Wensrich, Giles Parkes, Vladimir Luzin et al.·Aug 1, 2026SaveLearn
Statistical imaging of NV centers reveals clustered defect formation in diamondThe sharp optical resonances of NV- centers in diamond at cryogenic temperatures offer powerful new capabilities for material characterization, but extracting the most detailed information typically…Jason Shao, Richard Monge, Tom Delord et al.·Aug 1, 2026SaveLearn
Structural, optical, and electrical properties of Cu-doped NiO films synthesized by spray pyrolysis for potential gas sensing applicationsCu-doped NiO thin films were deposited on ITO substrates via spray pyrolysis at 450 °C for 1.5 minutes. XRD confirmed a cubic NiO structure, with Cu incorporation reducing crystallite size,…Eka Nurfani, Grace Grace, Mahardika Yoga Darmawan et al.·Aug 1, 2026SaveLearn
Observation of mirror-odd and mirror-even spin texture in ultrathin epitaxially strained RuO2 filmsRecently, rutile ruthenium dioxide (RuO2) has attracted renewed interest due to expectations of prominent altermagnetic spin splitting. However, accumulating experimental evidence suggests that,…Yichen Zhang, Seung Gyo Jeong, Luca Buiarelli et al.·Aug 1, 2026SaveLearn
Transient Liquid Phase Bonding of NiTi Using Cu- and Nb-base InterlayersTransient liquid phase (TLP) bonding was examined as an approach for joining NiTi to achieve a high joint efficiency while minimizing chemical variance within the joint region. Two bonding interlayer…Zhaoxi Cao, Samuel Price, Alessandra Crippa et al.·Jul 31, 2026SaveLearn
Resonant Raman spectroscopies beyond density-functional theoryResonant Raman spectroscopy probes, in a single measurement, how electrons and phonons couple in a material. Density-functional theory (DFT) typically reproduces well phonon frequencies, but resonant…Aleksandr Poliukhin, Corto Babs Aubry, Lorenzo Bastonero et al.·Jul 31, 2026SaveLearn
Configuration averaging of X-ray absorption spectra of disordered systems within the augmented-space full multiple-scattering formalismWe present a formulation of the full multiple-scattering theory of X-ray absorption spectroscopy (XAS) for disordered systems based on the augmented-space method of Mookerjee. Both substitutional…Maurizio Benfatto·Jul 31, 2026SaveLearn
Vibrational spectroscopy identifies the bond asymmetry of hexagonal diamondBulk hexagonal diamond has been synthesized by independent routes, but its structure remains contested: the two recent refinements disagree even on the sign of the difference between its two…Li Zhu·Jul 31, 2026SaveLearn