Localized crystallization of Ce:YIG thin films on Si using CO2 laser annealing for integrated nonreciprocal photonic device applicationsLaser annealing (LA) technique has emerged as an effective method for localized crystallization of magneto-optical (MO) garnet thin films on semiconductor substrates. However, no studies have…Xinran Ji, Junxian Wang, Tianchi Zhang et al.·Jul 20, 2026SaveLearn
Physically motivated iso-orbital indicator for meta-GGA exchange functionalsThe iso-orbital indicator α= (τ- τvW)/τUEG is a key ingredient of meta-generalized gradient approximation (meta-GGA) functionals, but diverges in low-density tails , causing…Jeet Sharma, Abhishek Bhattacharjee, Bikash Patra et al.·Jul 20, 2026SaveLearn
Efficient Quantum-Mechanical Modeling of Nonradiative Charge Transfer ProcessesNonradiative charge transfer processes play a central role in a wide range of physical phenomena, including reliability phenomena in semiconductor devices such as bias temperature instability,…Alexander Karl, Dominic Waldhoer, Theresia Knobloch et al.·Jul 20, 2026SaveLearn
d-band filling dictates magnetic stability in Mn- and Co-substituted FeRh alloysThe composition-dependent magnetic properties of B2-ordered ~alloys with substitutional disorder on the Fe sublattice are investigated using first-principles calculations within the coherent…Greeshma R, Rudra Banerjee·Jul 20, 2026SaveLearn
CuCrZr heat-sink irradiation performance reveals new challenges for thermonuclear fusion reactorsCommercial fusion energy requires materials that survive intense neutron bombardment whilst extracting extreme heat loads for conversion to electricity. The CuCrZr alloy, the leading heat-sink…Thomas Barzic, Anna-Carina Seitlinger, Christoph Frühwirth et al.·Jul 20, 2026SaveLearn
Going Beyond the d-band Center to Design Intermetallic Catalysts for Nitrogen Reduction: A High-Throughput DFT and Machine Learning StudyThis study combines high-throughput density functional theory (DFT) calculations with machine learning (ML) to uncover the key descriptors governing the nitrogen reduction reaction in 47…Parastoo Agharezaei, Kulbir Kaur Ghuman·Jul 20, 2026SaveLearn
AI2Pot: A scalable and unified framework for machine-learning interatomic potential development and large-scale molecular dynamic simulationsMachine-learning interatomic potentials (MLIPs) bridge the accuracy of first-principles calculations and the efficiency required for large-scale molecular dynamics (MD) simulations. However, existing…Hanyu Liu, Linggang Zhu, Xuanguang Zhang et al.·Jul 20, 2026SaveLearn
Fine-Tuning a Universal Machine-Learned Interatomic Potential for Oxygen Plasma Interactions with WS2Molecular dynamics simulation of plasma-surface interactions requires an interatomic potential that is simultaneously accurate, computationally efficient, and able to describe many elements and…Jaehong Kwon, Andrew S. Rosen, David B. Graves·Jul 20, 2026SaveLearn
Precipitate phase selection and grain boundary morphology in Cu-Ni-Si-Mn alloys: A machine-learning interatomic potential studyAlloys inevitably contain interphase boundaries, whose energetics govern nucleation processes and precipitate morphology. In Cu-Ni-Si alloys, Mn addition markedly changes grain boundary (GB)…Aadil Fayaz Wani, Il-Seok Jeong, Haekwan Jeon et al.·Jul 20, 2026SaveLearn
Optomagnetic non-thermal modification of the ferromagnetic resonanceWe investigate the photoinduced shift of the ferromagnetic resonance (FMR) frequency in magnets caused by the inverse Cotton-Mouton effect (ICME) under linearly polarized light. Using a Lagrangian…Nika Gribova, Anatoly Zvezdin, Shixun Cao et al.·Jul 20, 2026SaveLearn
RIXS Identification of Optical Phonon-Spin Coupling Effects in CrSBrResonant inelastic x-ray scattering provides experimental signatures of spin-phonon coupling in CrSBr through temperature-dependent Cr L-edge spectra. Low-energy excitations are observed…Jayajeewana N. Ranhili, Chamini S. Pathiraja, Brody Brogdon et al.·Jul 20, 2026SaveLearn
Evidence for Magnon-Assisted Exciton Radiation in a Layered Antiferromagnetic SemiconductorLayered van der Waals (vdW) magnetic semiconductors open a new avenue for exploring intertwined excitonic and magnetic phenomena. Here, we investigate this interplay in the vdW antiferromagnet MnPS3,…Yingchen Peng, Yanan Ge, Wentao Chen et al.·Jul 20, 2026SaveLearn
Unveiling competitions between carrier recombination pathways in semiconductors via mechanical dampingThe total rate of carrier recombination in semiconductors has conventionally been expressed using an additive model, rtotal = Σri , which rules out the interactions between carrier recombination…Mingyu Xie, Ruitian Chen, Jiaze Wu et al.·Jul 20, 2026SaveLearn
A figure-of-merit-based framework to evaluate photovoltaic materialsI propose a general quantitative framework to evaluate the quality, track the historical development, and guide future optimization of photovoltaic (PV) absorbers at any development level, both…Andrea Crovetto·Jul 20, 2026SaveLearn
Mechanical loss in amorphous solids: spatial correlations, interacting transitions, and annealed thermodynamic pathwaysThe disordered and defect-rich structure of amorphous solids forms heterogeneous, high-dimensional energy landscapes. Such an energy landscape can be described by a discrete-state network of…Steven Blaber, Jörg Rottler·Jul 19, 2026SaveLearn
Symmetry-Engineered Nonlinear Hall Response and Optical Response in Strained Monolayer Janus AsTeBrThe nonlinear Hall effect (NLHE) enables the generation of a transverse charge current in nonmagnetic materials with broken inversion symmetry while preserving time-reversal symmetry through the…Dimple Rani, Ritesh Ranjan Badhai, Gayatri Panda et al.·Jul 19, 2026SaveLearn
Response-function-optimized phase field modeling of solute trapping and solute drag in rapid alloy solidificationQuantitative prediction of rapid solidification microstructures requires phase field models that represent the velocity dependence of interfacial properties, including solute partitioning, kinetic…Joni Kaipainen, Tatu Pinomaa, Nikolas Provatas·Jul 19, 2026SaveLearn
Interfacial thermal transport in Si/SiC and SiC/diamond heterostructures: effects of amorphous interlayers and SiC polytypesThis study examines phonon-mediated heat transfer across Si/SiC and SiC/diamond interfaces using non-equilibrium molecular dynamics simulations, emphasizing the influence of SiC polytypes and…Pedram Mirchi, Shirin Sabokdast, Ali Rajabpour·Jul 19, 2026SaveLearn
XMatcher: An Open-Source Framework for X-Ray Diffraction Phase IdentificationPowder X-ray diffraction (XRD) is widely used for crystalline phase identification, and recent machine learning approaches have demonstrated remarkable capabilities in accelerating diffraction…Bin Cao·Jul 19, 2026SaveLearn
STEP: Spin Tensor Equivariant Potential for Data-Efficient Learning of Magnetic Potential Energy SurfacesAccurate and efficient modeling of magnetic potential energy surfaces remains challenging because spin-polarized first-principles calculations for diverse non-collinear spin-lattice configurations…Yuanqing Gao, Wen-Hao Luo, Lei Zhang et al.·Jul 19, 2026SaveLearn
Holonomy Analysis of Optical-polarization Temperature Trajectories in Stress-induced Ferroelectric SrTiO3We develop a data-induced geometric framework for temperature trajectories in optical-polarization data and apply it to temperature-dependent birefringence imaging of stress-induced ferroelectric…Hirotaka Manaka, Kazuma Seike, Yoko Miura·Jul 19, 2026SaveLearn
Observation of cooperative strong coupling between optical phonon and crystal-field excitations in a pseudo Jahn-Teller systemCooperative interactions between localized electronic excitations and crystal lattice are central to the emergence of complex structural phases in materials. However, the scaling relations governing…Fangliang Wu, Xiaoxuan Ma, Zhongwei Zhang et al.·Jul 19, 2026SaveLearn
Edwards LocalizationWe study the localization problem in quantum stochastic mechanics. We start from the Edwards model for a particle in a bath of scattering centers and prove static localization of the ground state…Riccardo Fantoni·Jul 19, 2026SaveLearn
Moiré-resonant surface state in ultrathin RuO2RuO2 has emerged as a prototypical candidate for altermagnetism. In the face of daunting evidence for magnetic order in the bulk, the focus naturally shifted to surfaces and ultrathin films, where…Philipp Keßler, Andreas Feuerpfeil, Armando Consiglio et al.·Jul 19, 2026SaveLearn
The crystallographic quaternions and their product lawUnit quaternions are widely used in science to encode rotations because the quaternion product is more efficient than matrix product and more stable than Rodrigues product to calculate the…Cyril Cayron·Jul 18, 2026SaveLearn