Saddle-node bifurcation in interfacial morphology selects battery degradation phaseWe propose a minimal nonlinear closure ODE for the dynamic active-area factor of a battery interface and show that it exhibits a saddle-node bifurcation when the smoothing rate saturates with surface…Changdeuck Bae·May 11, 2026SaveLearn
Parabolic-growth universality and its nucleation-driven breakdown across lithium-battery anode chemistriesSolid-electrolyte interphase (SEI) growth is widely modeled cell-by-cell with chemistry-specific closures, yet its underlying kinetic scaling is rarely tested across chemistries. By compiling…Changdeuck Bae·May 11, 2026SaveLearn
Non-homogeneous structure of complex concentrated alloys: Effect of intrinsic strainEven if the atoms of a multicomponent alloy occupy a common lattice, their distribution is not homogeneous, and regions with different compositions can be detected. Three representative examples will…Vaclav Paidar, Pavel Lejcek, Andrea Skolakova·May 11, 2026SaveLearn
Ytterbium charge state and stabilization in the Ba(Ca)F2 host by electron paramagnetic resonance and infrared photoluminescenceLanthanide-doped fluorides are promising materials for advanced photonic and quantum applications due to their wide bandgap, low phonon energy, and chemical stability. In this work, we present a…David John, Shelja Sharma, Marius Stef et al.·May 11, 2026SaveLearn
Chiral Porphyrin Monolayers on Ferromagnetic Thin Films: Ultrafast Spectroscopy of Hybrid InterfacesHybrid ferromagnetic metal/organic interfaces (spinterfaces) exhibit unique properties, including spin filtering. In parallel, chiral organic molecules can themselves induce efficient spin filtering,…Karol Hauza, Anna Lewandowska-Andralojc, Ruslan Salikhov et al.·May 11, 2026SaveLearn
Valley-contrasting Spin Textures in Janus Metal PhosphochalcogenidesMomentum-resolved spin textures and potential valley-contrasting physical properties in the momentum space are two intriguing characteristics of noncentrosymmetric materials, and they have broad…Zeyu Yin, Li Liang, Zhichao Zhou et al.·May 11, 2026SaveLearn
Essential Principles and Practices in X-ray Photoelectron SpectroscopyX-ray photoelectron spectroscopy (XPS) is a widely used technique for chemical analysis of solid surfaces, sensitive to the chemical environments of atoms via core-level binding energy shifts. While…Jan Čechal·May 11, 2026SaveLearn
First-Principles Study of the Temperature Dependence of Structural, Electronic, and Hyperfine Properties of the Cu(100) SurfaceIn this work, we investigate the temperature-dependent behavior of the pure (undoped) Cu(100) surface using first-principles calculations within the Density Functional Theory framework. One of the…Germán N. Darriba, R. Faccio, Mario Rentería·May 10, 2026SaveLearn
Giant Rashba Splitting and Enhanced Nonlinear Berry-Phase Responses in Sliding-Tunable vdW MXene HeterostructuresChalcogen-terminated van der Waals MXenes (M2CX2; M = Nb, Ta; X = S, Se) provide a robust platform for exploring strong spin-orbit coupling and proximity engineering. To probe their tunability and…Ali Sufyan, J. Andreas Larsson, Andreas Kreisel et al.·May 10, 2026SaveLearn
Molecular Nitrogen Formation in Nitrogen-Implanted (100) β-Ga2O3 Revealed by Temperature-Dependent N K-edge XANESThe realization of p-type doping in wide-band-gap oxide semiconductors remains a major challenge, particularly in β-Ga2O3 where nitrogen has long been considered a potential acceptor dopant but…I. N. Demchenko, Y. Syryanyy, A. Shokri et al.·May 10, 2026SaveLearn
Stacking-dependent thermoelectric transport in layered Sc2Si2Te6 from first principlesStacking polymorphism is a common characteristic of van der Waals layered materials and can substantially modify their physical properties. Here, based on first-principles calculations combined with…Zhongjuan Han, Wu Xiong, Zhonghao Xia et al.·May 10, 2026SaveLearn
Universal 3:1 Scaling of Quantum-Confined Stark Spectra Revealed by a Three-Dimensional ProfileWe report that the quantum-confined Stark effect spectrum exhibits a nearly rigid redshift while preserving its characteristic peak spacing patterns when increasing the electric field strength F.…Sha Han, Kebei Chen, Runnan Zhang et al.·May 10, 2026SaveLearn
Band alignment of grafted diamond/GaN p-n heterojunctions interfaced with ALD Al2O3 and SiNx/Al2O3Diamond and gallium nitride are complementary semiconductors for forming p-n junctions because of their respective doping limitations. Understanding the band alignment of grafted diamond/GaN…Tsung-Han Tsai, Chenyu Wang, Jiarui Gong et al.·May 9, 2026SaveLearn
Angle-Resolved Cryogenic Brillouin-Mandelstam Spectroscopy of Surface and Bulk Acoustic Phonons in DiamondWe used angle-resolved Brillouin-Mandelstam light-scattering spectroscopy to monitor surface and bulk acoustic phonons in diamond along the <100> and <110> crystallographic directions across a…Jordan Teeter, Dylan Wright, Nidhish Thiruthukkal Puthenveettil et al.·May 9, 2026SaveLearn
CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative ModelsCrystal generative models mainly learn what stable crystals look like, with little explicit supervision for what makes them stable. We reveal a substantial representation gap between state-of-the-art…Chengqian Zhang, Yucheng Jin, Duo Zhang et al.·May 9, 2026SaveLearn
Bond strengths in solids computed from a Wannier-type construction of local vibrational modesWe introduce a Wannier-type formulation of periodic local vibrational mode theory that yields real-space-localized vibrational modes associated with individual internal coordinates in crystalline…Mateusz Mojsak, Elfi Kraka, Adam A. L. Michalchuk·May 9, 2026SaveLearn
Thermodynamic Approach for Deciphering Magneto-Structural Phase Transitions: Proof of Concept in Heusler AlloysFerromagnetic solids acquire nontrivial magnetic and caloric properties when the temperature of the structural phase transition approaches the Curie point. Deciphering magneto-structural transitions,…Eleonora Rusconi, Lorenzo Gallo, Victor A. L'vov et al.·May 9, 2026SaveLearn
Multi-Fidelity Computational Screening of High-Entropy MBenes for CO2 ElectroreductionHigh-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 equiatomic quinary…Sree Harsha Bharadwaj H, Raghavan Ranganathan·May 9, 2026SaveLearn
The superite phase and phase transition inducing multiscale solidification microstructures and segregations in steelsBased on classical concept, solidification of alloys is a direct transition from liquid phase to solid phase, by which dendrites and dendritic segregation are produced. Through in-situ and real time…Xiaoping Ma, Dianzhong Li, Zhuo Zhao et al.·May 9, 2026SaveLearn
Selectivity- and Activity-Aware Catalyst Descriptors for CO2 Hydrogenation on Alloy Nanocatalysts using Machine-Learned Force FieldsAdsorption energy distributions (AEDs) have emerged as a powerful and increasingly adopted descriptor for catalytic performance in high-entropy alloys and, more recently, in conventional metallic…Prajwal Pisal, Ondřej Krejčí, Patrick Rinke·May 8, 2026SaveLearn
Epitaxial growth of beta-bismuthene on Sb2Te3Over the past decades, two-dimensional crystals have attracted considerable interest as promising materials for electronic and optoelectronic applications. Among them, graphene analogs composed of…Giorgia Sementilli, Arslan Masood, Fabio Ronci et al.·May 8, 2026SaveLearn
Multiscale modeling of materials and neural operatorsMultiscale modeling is essential for understanding the complex behavior of materials. However, accurately transferring all relevant information from one scale to another has remained an outstanding…Kaushik Bhattacharya·May 8, 2026SaveLearn
Photovoltaic Possibility of Cu2SiSe3 and Cu2SnS3 Ternary Chalcogenides- Single Junction to Tandem ArchitectureCu based ternary chalcogenides are gathering attention for sustainable energy applications due to their reduced complexity compared to quaternary alternatives. We used drift diffusion modeling to…Saptarshi Mandal, Surbhi Ramawat, Sumit Kukreti et al.·May 8, 2026SaveLearn
Interfacial control of hot-carrier extraction and photostability in two-dimensional materialsTwo-dimensional transition metal dichalcogenides (TMDCs) are promising materials for next-generation optoelectronic devices, yet their implementation is hindered by limited sample stability and…Claudia Gollner, Mohammad Taghinejad, Chenyi Xia et al.·May 8, 2026SaveLearn
Anomalous magnetotransport in a non-collinear correlated kagome ferromagnet MgMn6Sn6Magnetic kagome metals provide a fertile platform for exploring unusual magnetotransport phenomena arising from the intricate interplay between electronic topology, electron correlations, and…Kakan Deb, Sourav Kanthal, Jyotirmoy Sau et al.·May 8, 2026SaveLearn