Influence of Interface Energy Anisotropy on the Solid-state Instability in Ni-based Superalloy: A Multiscale StudyThe microstructural stability of nickel-based superalloys critically depends on the morphology and evolution of γ'-precipitates, which is governed by elastic and interfacial anisotropies at the…Sourav Ghosh, Christian Brandl, Rajdip Mukherjee·Aug 25, 2026SaveLearn
Two Microscopic Mechanisms of Piezomagnetism in CoF2 from First-Principles CalculationsRutile-structured CoF2 has long been recognized as a prototypical piezomagnetic material. Recently, it has attracted renewed interest as an altermagnet, exhibiting spin-split electronic bands even…Hiroshi Katsumoto, Tamio Oguchi, Kunihiko Yamauchi·Aug 25, 2026SaveLearn
Excitonic fingerprints of magnetic configurations and switching in multilayer CrSBrThe coupling between electronic states and magnetism provides a route towards optical readout and control of magnetic information. In the magnetic semiconductor CrSBr, excitons are coupled to…Lukas Krelle, Ryan Tan, Jakob Conradi et al.·Aug 25, 2026SaveLearn
Depth-Resolved Evolution of Buried Polar Topologies in a PbTiO3/SrTiO3 SuperlatticePolar topologies in complex oxides gives rise to a rich spectrum of emergent functionalities and are fundamentally governed by three-dimensional (3D) atomic structures. However, direct experimental…Xinxin Hu, Penghan Lu, Noa Varela-Dominguez et al.·Aug 25, 2026SaveLearn
Classification of Metal - Insulator Transitions: Relating characteristic Properties to Quantum Chemical Bonding DescriptorsPressure induced metal insulator transitions (MIT) are classified by the evolution of characteristic optoelectronic and vibrational properties calculated with density functional theory. Three classes…Tim Bartsch, Carl-Friedrich Schön, Dasol Kim et al.·Aug 25, 2026SaveLearn
Bonding Signatures of Incipient Electron Localization in Topological Chiral Semimetals Near the Metal-Insulator TransitionHow do electronic localization and delocalization compete in solids beyond the traditional limiting cases of metals and iono-covalent insulators? Topological chiral semimetals (TCSMs), characterized…Felix Hoff, Jonathan Frank, Mohit Raghuwanshi et al.·Aug 25, 2026SaveLearn
Engineering Dirac interface statesWe develop a low-energy theory of interface states in anisotropic multivalley Dirac systems whose masses and kinetic parameters are allowed to vary across an interface. For sharp interfaces,…Gabriele Domaine, Moritz M. Hirschmann, Andreas P. Schnyder·Aug 25, 2026SaveLearn
Spectrally Programmable Spin-Polarized Photocurrents in WSe2-NiPS3 Magnetic van der Waals HeterostructuresEfficient generation and control of spin-polarized currents in semiconductors remain central challenges for spin-based electronics, particularly due to impedance mismatch and the reliance on magnetic…Rajesh Kumar Yadav, Michal Poplinger, Adi Levi et al.·Aug 24, 2026SaveLearn
Can Strain or Anion Interchange Make an Unstable Structure Stable? Energetics, Lattice Dynamics and Strain-Tunable Band Gaps of Lithium Chalcohalide Antiperovskites (Li3BA) and their Anion Interchange Variants (Li3AB)Lithium chalcohalide antiperovskites are a promising, non-toxic alternative to lead halide perovskites, with potential as solid electrolytes for Li-ion batteries. we computationally investigate a…Ismail A. Buliyaminu, Ehsan Gowdini, Phillip Duxbury et al.·Aug 24, 2026SaveLearn
Tunable Magnetic Frustration in the Cu-Ru-based Double Perovskite La2-xSmxCuRuO6 (x = 0, 1, 2) OxidesIn this study, we investigate structural, magnetic, and electronic properties of the copper-ruthenate based oxide double perovskite La2-xSmxCuRuO6 (x = 0, 1, 2), synthesized through the…Soumya Ghorai, Samir Rom, Irina Shamova et al.·Aug 24, 2026SaveLearn
Large Jahn-Teller shifts and splittings observed in halide perovskite CsPbBr3Despite the fundamental role of Jahn-Teller effects of first and second order in shaping structural and electronic properties, there is hardly any observation in angle-resolved photoemission of…Maryam Sajedi, Maxim Krivenkov, Dmitry Marchenko et al.·Aug 24, 2026SaveLearn
Emergent Noncollinearity and Near-Degenerate Magnetic Superlattices in AT6X6 Kagome MetalsFerromagnetic AT6X6 Kagome compounds are a popular class of systems in which quantum magnetism with topological features has been observed. These systems allow easy chemical substitution, creating an…Weiyi Xia, Wei-Shen Tee, Peter Minch et al.·Aug 24, 2026SaveLearn
Defect-Mediated Nucleation and Dynamics across the Phase Transition in the Excitonic Insulator Candidate Ta2NiSe5Ta2NiSe5 is a quasi-one-dimensional material that exhibits a structural and electronic phase transition from a low-temperature monoclinic (semiconductor) to a high-temperature orthorhombic…Guilherme Rodrigues-Fontenele, Gabriel Fontenele, Ângelo Malachias et al.·Aug 24, 2026SaveLearn
Resistive Switching and Neuromorphic Computing in Metal/Nb:SrTiO3: Mechanisms, Interface Physics, and Charge TransportResistive switching (RS) in Nb-doped SrTiO3 (Nb:STO) based memristive devices has attracted sustained interest in information processing and novel computing because of its forming-free operation,…Christopher Broyles, Elizabeth Krenkel, Frank Barrows et al.·Aug 24, 2026SaveLearn
Mapping metallic d-wave altermagnetism across the TiNiSi structural familyThe prospect of using altermagnets as switchable sources of perpendicularly polarized spin currents has intensified the search for candidate materials, yet metallic d-wave systems with sizable…Zhen Zhang, Subhadip Pradhan, Kirill D. Belashchenko et al.·Aug 24, 2026SaveLearn
The principle of detailed balance between electrons and phonons in presence of excitonic effectsBased on a many-body formulation, we derive an electron-phonon coupling including excitonic effects that preserves thermodynamic detailed balance between electronic and phononic scattering processes.…Alberto Guandalini, Giovanni Caldarelli, Francesco Mauri et al.·Aug 24, 2026SaveLearn
FUCrIMODo: structure recovery from atomistic descriptors via multi-stage genetic algorithmsData-driven approaches to materials discovery rely on numerical representations of atomic structures as input for machine learning models. Inverting these descriptors - recovering atomic structures…Louis Boehm, Martin Kuban, Claudia Draxl·Aug 24, 2026SaveLearn
Giant Surface-driven Nonlinear Hall Effect in BiTeCl at Room TemperatureThe nonlinear Hall effect (NLHE) provides a pathway to generate a Hall response in time-reversal-symmetric yet inversion-symmetry-broken systems. NLHE can rectify an alternating current into a…Zhihua Liu, Ziheng Wang, Yongbo Lv et al.·Aug 24, 2026SaveLearn
Determination of the ferrimagnetic structure of monoclinic TbFe2D4.2 deuteride and its evolution versus temperature and high magnetic fieldThe magnetic properties of monoclinic TbFe2D4.2 have been investigated by combining different magnetic measurements, including those involving a high pulsed magnetic field, with neutron…Valerie Paul-Boncour, Olivier Isnard·Aug 24, 2026SaveLearn
Absence of lateral domain wall mobility in Zn1-xMgxO thin filmsPolarization reversal in ferroelectrics arises from the coupled processes of domain nucleation and subsequent growth, yet the governing mechanisms differ fundamentally between classical perovskite…Jack Eckstein, Kyle P. Kelley, William Prudnick et al.·Aug 24, 2026SaveLearn
FDTBX - Computational Tools for Simulation of X-ray Fiber Diffraction Patterns from Atomic CoordinatesFiber diffraction is one of the few experimental techniques capable of resolving molecular structure in partially ordered, non-crystalline systems such as fibrous proteins, biopolymers, and synthetic…Pawel Sikorski·Aug 24, 2026SaveLearn
Predicted High n-Type zT and Ultralow Lattice Thermal Conductivity in A2AgIrCl6 (A = Cs, Rb)A useful thermoelectric device must impede heat flow without impeding charge transport. Here, we examine how closely cubic Cs2AgIrCl6 and Rb2AgIrCl6 approach this balance using…Neeraj Kulhari, Krishna Swaroop Sharma, Sung Gu Kang et al.·Aug 24, 2026SaveLearn
The Achilles tendon enthesis rebuilds its mineralization front on reloading but retains a nanoscale imprint of unloadingThe enthesis is a graded fibrocartilaginous interface that transfers load between tendon and bone, yet the nanoscale mechanisms stabilizing its mineralization front remain unclear. Here, we combine…M. L. Stammer, C. Camy, M. Frewein et al.·Aug 24, 2026SaveLearn
First-Principles Spin-Lattice Coupling from Downfolded Electron-Phonon InteractionWe present a method to calculate spin-phonon coupling parameters from first-principles perturbation theory by downfolding the electron-phonon coupling (EPC). We exploit the localized nature of…Xu He, Álvaro Adrián Carrasco Álvarez, Gian-Marco Rignanese et al.·Aug 24, 2026SaveLearn
Impact of Carbon Contamination on the Low-Temperature Electric Conduction of the Spark-Plasma Sintered Barium Titanate CeramicsThe dielectric and electric conduction properties of BaTiO3 samples fabricated by the spark plasma sintering with additional contamination by different content of carbon have been investigated in the…Oleksandr S. Pylypchuk, Taisiia O. Kuzmenko, Denis O. Stetsenko et al.·Aug 24, 2026SaveLearn