Atomistic Mechanisms of Temperature-Dependent Ion Track Formation in Gallium Nitride under Swift Heavy Ion IrradiationThe radiation tolerance of gallium nitride under extreme conditions is critical for its deployment in next-generation electronic and optoelectronic devices, yet the microscopic mechanisms governing…Jiayu Liang, Shaowei He, Wenlong Liao et al.·Apr 27, 2026SaveLearn
Nitrogen doping induced metal-insulator transition with iso-symmetric character in rutile VO2Metal-insulator transitions (MITs) in correlated oxides offer immense potential for next-generation Mottronic devices. However, their integration into practical applications is often hindered by the…Baichen Lin, Shanquan Chen, Yubo Zhang et al.·Apr 27, 2026SaveLearn
Phase transformation kinetics in MoS2 governed by S-S repulsive interactions and defect-interface compatibilityThe metastable T' phase in monolayer MoS2 exhibits remarkable persistence despite a strong thermodynamic driving force toward the stable H phase. Using machine learning-accelerated molecular…Pai Li, Ziao Tian, ZengFeng Di et al.·Apr 27, 2026SaveLearn
Electron-phonon coupling across the TMD/hBN van der Waals interfaceMany-body interactions can couple electronic states in one layer with collective excitations in the adjacent layer, providing a route to tailor properties of heterostructures. However, detecting and…G. Gatti, C. Berthod, J. Issing et al.·Apr 27, 2026SaveLearn
Characterizing Fill Factor Limitations in Perovskite-Silicon Tandem Solar CellsPerovskite-silicon tandem technology has exceeded the single junction theoretical efficiency limit. However, there is still distance to the thermodynamic limit mainly caused by the fill factor. This…Yueming Wang, Nan Sun, Chris Dreessen et al.·Apr 27, 2026SaveLearn
Interfacial breathing as a dynamic failure law in all-solid-state batteries: amplitude, phase lag and dual-timescale memory as design principlesAll-solid-state batteries fail not only by bulk transport limits, but by a reactive interface that evolves during cycling. We show that degradation is governed by two coupled processes: interfacial…Changdeuck Bae·Apr 27, 2026SaveLearn
Spin excitation of the Heisenberg antiferromagnet with frustration: from the bounce-lattice antiferromagnet through the maple-leaf-lattice antiferromagnet to the exact-dimer systemThe spin-S Heisenberg antiferromagnet on the two-dimensional lattice is investigated for S=1/2 and S=1. We consider interaction at isolated dimers (J d) and interaction bonds that form the…Hiroki Nakano, Toru Sakai·Apr 27, 2026SaveLearn
Three-dimensional topological ferroelectricsThree-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new…Haohao Sheng, Sheng Zhang, Zhong Fang et al.·Apr 27, 2026SaveLearn
Nearly Isotropic Magnon Transport in Epitaxial Lithium Aluminum Ferrite Thin FilmsLow-loss magnetic insulating thin films are promising for information transport via magnons, where isotropic in-plane magnon propagation is desirable. We report nonlocal measurements of electrically…Yiming Li, Katya Mikhailova, Lerato Takana et al.·Apr 27, 2026SaveLearn
Optical Properties of Indium-Gallium-Oxide Microcrystalline Alloy Films: From the Visible to the Deep-UVThe tailored optical properties of (InxGa1-x)2O3 microcrystalline films were studied as a function of composition x via transmission, Urbach energy analysis, and spatial photoluminescence…HM Borhanul Alam, Dipak Oli, You Qiang et al.·Apr 26, 2026SaveLearn
Accelerating Quantum Materials Characterization: Hybrid Active Learning for Autonomous Spin Wave SpectroscopyAutonomous neutron spectroscopy must solve three distinct tasks: detection (where is the signal?), inference (which Hamiltonian governs it?), and refinement (what are the parameters?). No single…William Ratcliff·Apr 26, 2026SaveLearn
Attention Is Not All You Need for DiffractionDetermining crystal symmetry from powder X-ray diffraction is a central problem in materials characterization, yet multiple space groups can produce indistinguishable patterns, making automated…Elizabeth J. Baggett, Edward G. Friedman, Abhishek Shetty et al.·Apr 26, 2026SaveLearn
Modeling the Zero-Phonon Line of Strained SnV Centers in Diamond; Including Reflections on Computational Cost and AccuracyAmong the group-IV vacancy color centers in diamond, the SnV holds promise for photonics based quantum applications. In this work, the Tin-Vacancy (SnV) zero-phonon line (ZPL) and its pressure…Danny E. P. Vanpoucke·Apr 26, 2026SaveLearn
Magnetic interactions and spin orders in Cr8 and V8 ring-shaped molecular magnets from non-collinear ab initio calculationsWe employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr8 and V8. Our aim is to generalize the…Maria Barbara Maccioni, Elia Stocco, Luca Binci et al.·Apr 26, 2026SaveLearn
Amorphous High Density PlutoniumMetastable aluminum-alloyed δ-plutonium shrinks rapidly and pure α-plutonium swells rapidly at 4 K. At ambient temperature alloyed δ-plutonium swells about 10-3 as fast as it shrinks at 4…J. K. Katz, A. Rollett, R. J. Hemley·Apr 26, 2026SaveLearn
Multi-photon schemes for mid-infrared detection : Comparative study of bulk GaAs and Ge1-xSnxWe calculate the theoretical non-degenerate two photon absorption and three color injected current response tensors for bulk GaAs and Ge1-xSnx for a range of alloy compositions. In…Alistair H. Duff, J. E. Sipe·Apr 25, 2026SaveLearn
A Single Twist-Angle Selection Method for the Electronic Structure of Bilayer MaterialsStructure factor twist averaging (sfTA) is a newer method that has been shown to reproduce twist-averaged (TA) CCSD energies for bulk systems at a low computational cost. In this work, we extend this…Ryan A. Baker, William Z. Van Benschoten, James J. Shepherd·Apr 25, 2026SaveLearn
Electronic Spectroscopy of Atomic Defects in Molybdenum Disulfide under Ambient ConditionsTransition metal dichalcogenides (TMDs) attract significant attention as potential building blocks in next-generation electronic devices. On the other hand, a comprehensive understanding of how…Joshua R. Evans, Diego A. Garibay, Aiden N. Kuhls et al.·Apr 25, 2026SaveLearn
From Data-Driven Models to Physical Insight: Vibrational Entropy Governed by Atomic VolumeVibrational entropy plays a central role in determining phase stability and temperature dependent behavior in materials, yet its calculation from first-principles phonon methods remains…Shivam Tripathi, Jatin Kawatra, Varun Malviya et al.·Apr 25, 2026SaveLearn
Weak Polar Optical Phonon Scattering Decouples Electron and Phonon Transport in Layered Thermoelectric MaterialsHigh-performance thermoelectric (TE) materials are crucial for efficient waste-heat recovery and solid-state cooling technologies. A persistent challenge in TE materials design arises from the strong…Zhonghao Xia, Michele Reticcioli, Yateng Wang et al.·Apr 25, 2026SaveLearn
Wafer-scale hybrid molecular beam epitaxy of BaTiO3 and SrTiO3 on siliconThe integration of epitaxial barium titanate (BTO) on silicon represents a highly promising pathway for next-generation, energy-efficient photonic integrated circuits due to BTO's exceptionally…Xiaodong Tian, Yan Lin, Hanbin Gao et al.·Apr 25, 2026SaveLearn
Ultra-High Dynamic Strength of Additively Manufactured GRX-810 Under Coupled Conditions of High Strain Rate and Elevated TemperatureDeformation mechanisms in CrCoNi-based oxide-dispersion-strengthened multi-principal element alloys (CrCoNi-based ODS-MPEA) have been extensively studied under quasi-static and low strain rate…Naveen Dinujaya, Suhas Eswarappa Prameela·Apr 25, 2026SaveLearn
Effective phonon models based on symmetry-adapted multipole basis -- Hidden chiral phonon angular momentum splitting in ferroaxial systemsWe propose a symmetry-based framework for constructing effective harmonic phonon models using a symmetry-adapted multipole basis. By decomposing the force-constant matrix into bond-centered electric…Yu Xie, Rikuto Oiwa, Satoru Hayami·Apr 25, 2026SaveLearn
RKKY interaction in altermagnets with adiabatic electron-phonon couplingAltermagnets, characterized by time-reversal symmetry breaking without net magnetization and momentum-dependent spin-split bands, offer a promising platform for spintronics due to their anisotropic…Bui D. Hoi·Apr 25, 2026SaveLearn
Anisotropic sub-band splitting mechanisms in strained HgTe: a first principles studyMercury telluride is a canonical material for realizing topological phases, yet a full understanding of its electronic structure remains challenging due to subtle competing effects. Using…Eeshan Ketkar, Giovanni Marini, Pietro Maria Forcella et al.·Apr 25, 2026SaveLearn