Photo-induced currents and short-term memory for reservoir computing in a ferroelectric semiconductorPhysical reservoir computing represents an energy efficient approach for processing temporal signals by exploiting the intrinsic nonlinear dynamics and fading memory of a physical system. Recently,…Yan Meng Chong, Atreya Majumdar, Manuel Zahn et al.·Jul 23, 2026SaveLearn
Phonon-driven Floquet engineering for electronic statesControlling material excitations offers access to novel fundamental and technological properties. The paradigm of Floquet engineering, the manipulation of the electronic structure using a coherent…Yu-Chan Tai, Chih-Wei Luo, Noriaki Takagi et al.·Jul 23, 2026SaveLearn
Defying Diamagnetism: Anomalous Redshift and Robust Chiral Spin Mixing in 2D Perovskites under High Magnetic Fields up to 50 TWe report circularly polarized magneto-photoluminescence (MPL) measurements on the enantiomeric pair of two-dimensional chiral perovskites R- and S-(C4H9NH3)2PbI4 in pulsed magnetic fields up to 50 T…D. Y. Park, S. Park, Yongmin Kim et al.·Jul 23, 2026SaveLearn
PolyGraphPy: A unified Python framework for atomistic simulation and machine learning-driven polymer designPolymers are indispensable materials with daily applications ranging from electronics to medicine, owing to their versatility, which can be tailored by adjusting their chemical composition and…João G. C. S. Duarte, Shruti Venkatram, Morgan Cencer et al.·Jul 23, 2026SaveLearn
Ab-initio Crystal Structure Determination from Powder X-Ray DiffractionDetermining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure…Kaixiang Su, Osman Goni Ridwan, Hongfei Xue et al.·Jul 23, 2026SaveLearn
Anomalous thermal and elastic properties of an epitaxial NiTi film exhibiting R-phaseShape memory alloys like NiTi are at the core of emerging thermal management applications, including elastocaloric refrigeration, thermoelastic harvesting, and latent heat storage. Most of these…Kristýna Repček, Tomáš Grabec, David Mareš et al.·Jul 23, 2026SaveLearn
On the proposed concept of mechanical phasons in Ni-Mn-Ga modulated martensiteWe discuss modulation phasons as a possible source of unusual elastic behavior of five-layer modulated (10\,M) martensite of the Ni-Mn-Ga shape memory alloy. This material exhibits anomalous…Petr Sedlák, Tomáš Grabec, Hanuš Seiner·Jul 23, 2026SaveLearn
Mechanistic study of mixed lithium halides solid state electrolytesLithium halides with the general formula LixMyX6, where M indicates metal ions and X halide anions are very actively studied as solid-state electrolytes, because of relatively low cost, high…Davide Tisi, Sergey Pozdnyakov, Michele Ceriotti·Jul 23, 2026SaveLearn
Ultra-transient grating spectroscopy for visualization of surface acousticsUltrasonic wave propagation across material surfaces reveals essential information about the materials' elastic behavior. The elastodynamic response of the surface is characterized by the…Tomáš Grabec, Pavla Stoklasová, Kristýna Repček et al.·Jul 23, 2026SaveLearn
Generative and multimodal AI for materials prediction and design: Progress, challenges, and perspectivesArtificial intelligence (AI) is accelerating materials prediction and design by enabling efficient exploration of chemical and structural spaces, with particular promise for novel materials…Xianyuan Liu, Charles Anjah, Benjamin E. Jolly et al.·Jul 22, 2026SaveLearn
First-principles calculation of electron-phonon spectral functions for defects using phonon interpolationPoint defects in wide-band-gap semiconductors exhibit optical spectra strongly shaped by electron-phonon coupling, but direct first-principles calculation of the corresponding phonon sidebands is…Zoltan Santha, Gergo Thiering·Jul 22, 2026SaveLearn
Analytical Forces from the Bethe-Salpeter Equation for Large-Scale Excited-State RelaxationWe present an efficient plane-wave implementation of analytical nuclear forces for electronic excited states described by the Bethe-Salpeter equation (BSE). The formulation combines density-matrix…Yu Jin, Victor Wen-zhe Yu, Marco Govoni et al.·Jul 22, 2026SaveLearn
A high-dimensional neural network potential for finite-temperature phenomena in NiTi martensiteWe present a high-dimensional neural network potential (HDNNP) for the martensitic phase of the NiTi shape-memory alloy trained to density functional theory (DFT) data. A central aspect of this work…Petr Jaroš, Petr Sedlák, Petr Šesták et al.·Jul 22, 2026SaveLearn
Magnetic ground states of CrPS4 and NiPS3 monolayers from long-range exchange interactionsWe investigate the magnetic properties of monolayer CrPS4 and NiPS3 by combining first-principles calculations, second-principles spin models, and Monte Carlo simulations. Unlike conventional…Balazs Nagyfalusi, Ritesh Das, Alvaro Bermejillo-Seco et al.·Jul 22, 2026SaveLearn
Lithium-Projected Phonon Spectral Distributions as Robust Descriptors of Ionic Conductivity in Solid ElectrolytesLattice dynamics are widely invoked in the design of solid electrolytes, yet phonon information is commonly compressed into a band center or another scalar softness measure. Here we test whether the…Gajendra Bohara, Ramakrishna Podila·Jul 22, 2026SaveLearn
Competing ferromagnetic and antiferromagnetic interactions in non-altermagnetic Ru1-xCrxO2We investigate the proposal of hole doping RuO2 via alloying with Cr ions to induce altermagnetism. Thin film samples of Ru1-xCrxO2 (0 ≤ x ≤ 0.28) were prepared by…David T. Plouff, Nawsher J. Parvez, Subhash Bhatt et al.·Jul 22, 2026SaveLearn
Role of Resonant k-Points in the Transient Optical Response of Pumped GermaniumPump-induced transient optical properties combine contributions from electronic states throughout the Brillouin zone, but the relative relevance of off-resonant and l-photon resonant crystal momenta…Amir Eskandari-asl, Giacomo Inzani, Matteo Lucchini et al.·Jul 22, 2026SaveLearn
From MLIPs to Microstructure: A High-Throughput Computational Framework to Design Spinodal Alloys in High-Dimensional Composition Spaces via Analytic Derivatives of CALPHAD Model PredictionsIdentifying regions of design space subject to spinodal decomposition is a critical component of alloy design in high-dimensional composition spaces. In cases where designers are seeking to exploit…Courtney Kunselman, Doguhan Sariturk, Siya Zhu et al.·Jul 22, 2026SaveLearn
Kinetically-Arrested Phase Separation leads to Tunable Domain Structures in Vapor-Deposited GlassesThe characteristic length scale of phase-separated organic thin film blends is a critical structural parameter governing the performance and functionality of organic electronic devices. The arrested…A T M Mahbub Alahe, Thomas J. Ferron, Camille E. Bishop·Jul 22, 2026SaveLearn
Thickness-dependent crack suppression and wrinkle formation in freestanding BaTiO3 membranesFreestanding ferroelectric oxide membranes offer a promising route toward silicon-integrated low-power electronic and memory devices, but reproducible membrane quality remains challenging,…Rajesh Mandal, Ajay Kumar, Nini Pryds·Jul 22, 2026SaveLearn
Exploring Multifunctionality in MgO-Based Magnetic Tunnel Junctions with Coexisting Magnetoresistance and Memristive PropertiesMagnetic tunnel junctions (MTJs) and memristors are two key emerging nanotechnologies that attracted significant interest for potential applications at the forefront of the digital revolution,…Alejandro Schulman, Elvira Paz, Tim Böhnert et al.·Jul 22, 2026SaveLearn
Huge hole injection in tungsten dichalcogenide heterostructures without electric gating: a DFT studyVan der Waals heterostructures based on transition metal dichalcogenides, TMDs, provide a versatile platform for tailoring electronic properties through interlayer charge transfer, CT. Precise…Dawid Ciszewski, Wojciech Grochala·Jul 22, 2026SaveLearn
Interface-resolved structural properties of epitaxial Y3Fe5O12/ Gd3Fe5O12 bilayers grown on GGG(111) by pulsed laser depositionEpitaxial Y3Fe5O12 (YIG) and Gd3Fe5O12 (GdIG) thin films, along with their bilayer heterostructures, were grown on Gd3Ga5O12(GGG)(111) substrates using pulsed laser…Kshitij Singh Rathore, Abhisek Mishra, Swayang Priya Mahanta et al.·Jul 22, 2026SaveLearn
Symmetry-Based Design Rules for Second-Harmonic Generation in Stacked and Twisted MoS2 BilayersUnderstanding how stacking controls the nonlinear optical response of two-dimensional materials is key to designing van der Waals heterostructures with tailored functionalities. Here, we establish a…Sumanti Patra, Caterina Cocchi·Jul 22, 2026SaveLearn
The origin of ferroelectricity, polarization and high resistivity in Aurivillius CaBi2B2O9 (B = Ta, Nb)Aurivillius layered oxides are important candidates for high-temperature ferroelectric and piezoelectric application. In this work, we combine group theoretic analysis with first-principles…Fengzhang Tang, Shi Wei, Qi Hu et al.·Jul 22, 2026SaveLearn