Agentic programs: an emerging form of scientific software in computational materials scienceComputational materials science has traditionally delegated algorithmic tasks to computers while leaving scientific judgments to humans. We argue that recent LLM-based agent harnesses enable an…Yunsung Lim, Haekwan Jeon, Jaesun Kim et al.·Sep 1, 2026SaveLearn
Phase Switchable Photocatalytic Water Splitting via a Paraelectric-Ferroelectric Transition in Zr2Ge2S6 Monolayer: A Comprehensive Theoretical InsightsPhotocatalytic water splitting (PWS) is a promising technology for addressing the global energy crisis and producing renewable and clean hydrogen fuel. Although numerous 2D materials have recently…Jubair Hossan Abir, Tauhidur Rahman, Md. Tanvir Khan et al.·Sep 1, 2026SaveLearn
Overcoming the Efficiency-Stability Trade-off in Spin-Orbit Torque Devices with Thermally Robust BCC NiW AlloysThe development of high-performance spin-orbit torque (SOT) magnetic memories is fundamentally constrained by a persistent trade-off between spin Hall efficiency, thermal structural stability, and…Yu-Ming Pan, Chen-Yi Wei, Yi-Cheng Tsou et al.·Sep 1, 2026SaveLearn
GW and Bethe-Salpeter Theory for Molecular Polaritons, Quasiparticles, and ExcitonsThe electron self-energy is central to quasiparticle theory, yet how an optical cavity enters it remains unclear. We address this question for a molecule in a single-mode cavity using the…Soohaeng Yoo Willow, Gi Beom Sim, Tae Hyeon Park et al.·Sep 1, 2026SaveLearn
Lead-free piezoelectric perovskites for arterial-pulse e-skin: from configurational complexity to equivariant machine-learning potentialsContinuous, non-invasive monitoring of the arterial pulse is a clinical priority for cardiovascular disease, the leading cause of global mortality. Flexible piezoelectric electronic skins can…Sanaa Ismail, Hassan M. E. Azzazy·Sep 1, 2026SaveLearn
Optical-Phonon-Enabled Large Lattice Thermal Conductivity Anisotropy in Hexagonal Perovskites CsBX3 (B = Mg, Cd; X = Cl, Br, I)Materials exhibiting strongly anisotropic lattice thermal conductivity are desirable for thermal-management applications, yet such behavior is commonly associated with layered or…Lingzhi Cao, Ying Song, Zhonghao Xia et al.·Sep 1, 2026SaveLearn
XUV Transmission Spectroscopy Using a Tabletop High-Harmonic SourceHigh-harmonic generation (HHG) provides a coherent ultrashort-pulse light source in the extreme- ultraviolet (XUV) region and has potential applications in time-resolved spectroscopy and materials…Ryunosuke Takahashi, Soudai Sakoda, Kaede Yamada et al.·Sep 1, 2026SaveLearn
Multi-image Overlap Stitching and Automatic Image Construction for Coherent X-ray ImagingDirect-space and real-time coherent X-ray imaging (direct-CXI) enables visualization of magnetic-domain structures and dynamics over length scales exceeding the field of view of a single image.…Starr Boney, Umeshika Dissanayaka, Lillian Rutowski et al.·Aug 31, 2026SaveLearn
Cryogenic Enhancement of Electron Spin Polarization from a Strained GaAs/GaAsP Superlattice PhotocathodeWe report electron spin polarization of 95.0 +/- 0.8 (stat) +/- 2.4 (sys)% from a strained GaAs/GaAsP superlattice photocathode grown by metalorganic chemical vapor deposition (MOCVD) and cooled to…Matt Grau, Colin Kirk, Greg Blume et al.·Aug 31, 2026SaveLearn
Size-Dependent Growth Rates Amplify Infinitesimal Asymmetry in NanocrystalsThe kinetic Wulff construction predicts symmetric nonequilibrium shapes when crystallographically equivalent facets share a fixed growth rate. However, nanocrystals grow through finite facets whose…Sam Oaks-Leaf, David T. Limmer·Aug 31, 2026SaveLearn
Magnetic frustration and non-collinear textures in layered Gd magnetsUsing scale-bridging simulations based on electronic structure theory and atomistic spin dynamics, we investigate the magnetic properties of skyrmionic GdRu2Si2 and GdRu2Ge2 layered…Vladislav Borisov, Rohit Pathak, Sagar Sarkar et al.·Aug 31, 2026SaveLearn
Fermi-Level Metal-d Character of Group-6 Bis-Hexahapto Bilayer GrapheneSuperconductivity in graphite intercalation compounds requires occupancy of a carbon-derived interlayer band filled by charge from an electropositive intercalant. Bis-hexahapto (eta6-eta6)…Mingguang Chen·Aug 31, 2026SaveLearn
Strain-Tunable Spin Relaxation in Germanium from First PrinciplesGermanium is a leading platform for semiconductor spin qubits and spintronics. Yet its electron and hole spin dynamics remain understood primarily through phenomenological models. Here, we predict…Lauren A. Tan, Shaelyn Iyer, Ivan Maliyov et al.·Aug 31, 2026SaveLearn
Orbital and Spin Edelstein Effects in KTaO3(110) Two-Dimensional Electron GasesThe orbital Edelstein effect converts an electric field into a non-equilibrium orbital polarization, opening new opportunities for orbitronics. Although signatures of the orbital Edelstein effect…Hugo Witt, Aravind Raji, Srijani Mallik et al.·Aug 31, 2026SaveLearn
A MOF-reinforced self-foaming sponge for mechanically robust triboelectric membranes with improved resistance to humidityPorous triboelectric materials offer significant potential for enhancing the performance of triboelectric nanogenerators, yet their practical application is limited by structural instability and…Tianhuai Xu, Pavel Kulyabin, Fatih Uzun et al.·Aug 31, 2026SaveLearn
Stoner contributions to the magnon equation of motionFrom linear response theory, we derive the equation of motion for Landau-damped magnon quasi-particles in absence of spin-orbit coupling. The derivation is based on a minimal set of assumptions,…Thorbjørn Skovhus, Patrik Thunström·Aug 31, 2026SaveLearn
Role of self-coherence in single-electron phase contrast imagingThe extension of coherent lattice contrast into the energy loss region in high-resolution transmission electron microscopy (HRTEM) is described by a pulse-like electron-sample interaction in the…Christian Kisielowski, Petra Specht, Joerg Jinschek et al.·Aug 31, 2026SaveLearn
Fine structure of the M-center in SiColor centers in silicon offer great possibilities for scalable quantum technologies. The M-center, proposed to originate from a carbon-hydrogen complex, offers telecommunications-band emission and a…Aurora Teien, David R. Gongora, Arnulf Johannes Snedker-Nielsen et al.·Aug 31, 2026SaveLearn
Universal unconventional responses controlled by ferroaxial orderFerroaxial materials are an emerging class of ferroic materials that, in contrast to ferromagnets and ferroelectrics, are fully robust against stray fields, making them ideally suited for data…Zhiren He, Guru Khalsa, Jagoda Slawinska·Aug 31, 2026SaveLearn
Halide donors in monoclinic- and corundum-phase Ga2O3 and Al2O3We present a systematic first-principles investigation of halide impurities (F and Cl) in Ga2O3 and Al2O3, considering both monoclinic and corundum phases. Our study of the structural…Sai Mu, Haochen Wang, Yongjoong Shin et al.·Aug 31, 2026SaveLearn
Terahertz Control of Optical Second-Harmonic Generation in Displacive Ferroelectrics: Electronic Bloch-State ReconstructionOptical second-harmonic generation (SHG) is a powerful probe of ferroelectric order, yet its microscopic origin and dynamical control are often understood primarily from symmetry considerations…Hong-Kui Liu, Zi-Chen Qin, Jun-Song Wu et al.·Aug 31, 2026SaveLearn
Emergence and suppression of phonon vortices in two-dimensional crystals: Interplay of lattice symmetry, heavy impurities, and shearPhonon vortices are vortex-like displacement fields that appear in the vibrational modes of two- dimensional materials. Here, we demonstrate that these vortices arise as symmetry-adapted linear…Yu-Tian Zhang, Deng Pan, Yuliang Jin·Aug 31, 2026SaveLearn
Topological and spin-orbit effects on orbital moments in ultra-thin magnetic filmsTopological orbital moments (TOMs) are a direct hallmark of a magnetic texture with a non-trivial spin topology. In addition to giving insight into the topology of the magnetic texture, TOMs could…Felix Nickel, Soumyajyoti Haldar, Mara Gutzeit et al.·Aug 31, 2026SaveLearn
Layer Axial Phonons and Dipolar Thermal Response in Centrosymmetric Thin FilmsIn nonmagnetic centrosymmetric materials, PT symmetry enforces vanishing total phonon angular momentum (phonon AM) at every wave vector, making them appear unsuitable as hosts of axial…Madhubanti Mukherjee, Kapil Gope, Barun Ghosh·Aug 31, 2026SaveLearn
Freezing of a deformable water-saturated porous medium. Part I: THM formulation, OpenGeoSys-6 implementation and benchmarkingIn this contribution, Part I, we present a coupled thermo-hydro-mechanical formulation for modeling and analyzing water-to-ice phase change in a deformable fully-saturated porous medium. It is…Tymofiy Gerasimov, Christian B. Silbermann, Dmitri Naumov et al.·Aug 31, 2026SaveLearn