Hydrogen segregation around a straight screw dislocation in bcc ironThe interaction between hydrogen and screw dislocations in bcc iron is central to understanding hydrogen embrittlement. A major challenge lies in the high-dimensional parametric landscape governing…Margot Lucas, Marie Landeiro Dos Reis, Sylvain Queyreau et al.·Jun 25, 2026SaveLearn
Controlled chemical vapor deposition for synthesis of emerging Mo(W)Te2 systemsThe Group-VI transition metal ditellurides offer a rich platform for correlated and topological phenomena, yet their structural polymorphism and instability complicate the creation of single crystals…Ya Deng, Zi-Yi Han, Yao Wu et al.·Jun 25, 2026SaveLearn
Thermal Rectification from Size-Dependent Phonon Confinement in Nanoparticle AssembliesThermal insulation remains an important technological challenge across the vast number of applications, from living quarters to quantum technology. Here, we exploit the size-dependent modification of…Megan J. Farrington, David J. Wasserman, Eden R. Josza et al.·Jun 25, 2026SaveLearn
Preconditioning Magnetic Systems in Kohn-Sham Density Functional TheoryThe convergence of the self-consistent field iterations in Kohn-Sham density functional theory can be significantly hindered by the presence of small eigenvalues in the dielectric matrix, which are…Clémentine Barat, Antoine Levitt, Marc Torrent·Jun 25, 2026SaveLearn
Lattice Reconstruction and Orbital Hybridization Suppress Magnetism in TaCo2Te2Structural reconstruction in low-dimensional quantum materials can strongly modify electronic symmetry and magnetic stability through orbital hybridization. Here, we investigate the interplay between…Ulysse Chazarin, Bharat C. Bathu, Zuned Ahmed et al.·Jun 25, 2026SaveLearn
Shape-Constrained Bayesian Active Learning of Self-Limiting Saturation CurvesSelf-limiting saturation curves, monotone responses that rise from zero to a plateau, govern gas adsorption, enzyme kinetics, dose-response pharmacology, and the growth per cycle of atomic layer…Pouyan Navabi, Christos G. Takoudis·Jun 25, 2026SaveLearn
Topological phase transition driven by in-plane spin rotationThe intrinsic coupling between magnetism and nontrivial band topology in magnetic topological insulators makes external magnetic fields a powerful tool for manipulating topological states. However,…Xinyue Zhu, Yu Xie, Yifei Hao et al.·Jun 25, 2026SaveLearn
Ductility Design Rules for Tungsten based Refractory High Entropy Alloys from Sparse Experimental DatasetsTungsten-based refractory high-entropy alloys (RHEAs) are promising materials for fusion applications but often remain brittle at room temperature because of tungsten's high ductile-to-brittle…Avik Mahata, Nick Beaver·Jun 25, 2026SaveLearn
Thermoelectric response of a ferroelectric insulatorThermoelectric effects enable the conversion between heat and electricity without moving parts. While conventionally associated with mobile charges, we report thermoelectricity caused by bound…Ryo Iguchi, Takashi Teranishi, Sakyo Hirose et al.·Jun 25, 2026SaveLearn
Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure GenerationGenerative diffusion models have emerged as powerful tools for the discovery of inorganic crystal structures, yet steering their sampling process toward user-defined physical and chemical objectives…Auguste de Lambilly, Vladimir Baturin, David Portehault et al.·Jun 25, 2026SaveLearn
Oxygen-deficiency-driven phase segregation enables enhanced hole transport in amorphous tellurium oxidesAmorphous oxide semiconductors allow scalable electronics, yet high-mobility p-type counterparts remain rare because O-2p valence bands are typically deep and spatially localized. Motivated by…Rafael Costa-Amaral, Yu Kumagai·Jun 25, 2026SaveLearn
Long-lived dynamics of the charge density wave in TiSe2 observed by time-resolved neutron diffractionWe use time-resolved elastic neutron scattering combined with laser heating to probe the temporal evolution of periodic lattice distortions (PLD) due to the formation of a charge density wave (CDW)…K. Dharmasiri, S. S. Philip, D. Louca et al.·Jun 25, 2026SaveLearn
Anion Doping Driven Non-Ferroelectric-to-Ferroelectric Phase Transition in Epitaxial Y:HfO2Oxygen vacancies are often essential for stabilizing the orthorhombic ferroelectric phase in HfO2, with cationic doping widely employed to introduce such defects. In contrast, systematic studies on…Soumyajyoti Mondal, Binoy Krishna De, Asraful Haque et al.·Jun 25, 2026SaveLearn
The spontaneous Nernst coefficient of ferromagnets from the interplay of electron scattering and Berry curvatureWe employ the Boltzmann transport approach to derive the spontaneous Nernst coefficient for ferromagnetic metals, explicitly treating the transverse current density due to Berry curvature as a Fermi…Vittorio Basso, Adriano Di Pietro, Alessandro Sola·Jun 25, 2026SaveLearn
Scalable Canonical and Isothermal-Isobaric Sampling of Coupled Spin-Lattice Systems with Machine-Learning PotentialsMagnetic machine-learning potentials (MLPs) now reach near-first-principles accuracy on the spin-lattice potential energy surface, but the dynamics and sampling frameworks that convert this accuracy…Zhengtao Huang, Yunfei Bai, Han Wang et al.·Jun 25, 2026SaveLearn
Optical signatures of bulk g-wave altermagnetism in MnTeFor planar d-wave altermagnets, it has been shown that a spin polarization can be induced in a controlled fashion by ultrashort-pulse excitation, even though the material is magnetically compensated.…Luca Haag, Marius Weber, Kai Leckron et al.·Jun 25, 2026SaveLearn
Boron-assisted synthesis of compositionally complex amorphous oxides via short-range-order-constrained generative designEngineering short-range atomic order in amorphous materials offers a promising yet still underexplored route to high-performance solids. Here, we establish a boron-assisted amorphization strategy…Honglin Li, Chuhao Liu, Yongfeng Guo et al.·Jun 25, 2026SaveLearn
Theory of ab initio downfolding with arbitrary range electron-phonon couplingAb initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework…Norm M. Tubman, Christopher J. N. Coveney, Chih-En Hsu et al.·Jun 25, 2026SaveLearn
Nanoscale Phase Distribution Governs Exchange Bias in Multiphase Magnetic NanoparticlesExchange bias at ferromagnet-antiferromagnet interfaces underpins magnetic memory, spintronic devices, and nanoscale electromagnetic technologies, yet its behaviour in complex nanoscale…Murtaza Bohra, Stefanos Giaremis, Vidyadhar Singh et al.·Jun 24, 2026SaveLearn
Challenging the p-type Paradigm: Intrinsic n-type Mobility in Antiferromagnetic Cr2O3Chromium oxide (Cr2O3) is widely considered a p-type transparent conducting oxide despite ongoing debate regarding its intrinsic transport character. Here, we resolve this question by…Á. A. Carrasco Álvarez, S. Poncé·Jun 24, 2026SaveLearn
Epitaxial Strain Activates Altermagnetic Spin-Splitting Torques in RuO2(100)The altermagnetic nature of rutile RuO2 remains under active debate: bulk measurements indicate a nearly nonmagnetic ground state, whereas thin-film studies have reported symmetry-dependent transport…Qi Jia, Seung Gyo Jeong, Seungjun Lee et al.·Jun 24, 2026SaveLearn
Primary damage and mechanical degradation of WTaCrV refractory high-entropy alloy: effects of solid-solution and chemical orderingAs advanced nuclear reactors demand novel irradiation-tolerant materials, this study investigates the radiation damage and mechanical degradation of the promising WTaCrV refractory high-entropy alloy…Yihan Wu, Pengfei Yu, Yaohong Suo et al.·Jun 24, 2026SaveLearn
Capturing Nuclear Quantum Effects in Hydrogen Diffusion through MoS2 via Machine-Learning-Enhanced Path-Integral SimulationsHydrogen transport through layered two-dimensional (2D) materials is central to technologies such as hydrogen storage, fuel cells, and isotope separation. Among these materials, MoS2 exhibits tunable…Ismail Eren, Ege Yigit Erbil, Maria-Judith Caisachana-Lozada et al.·Jun 24, 2026SaveLearn
Impact of sintering conditions on the dielectric properties of TiO2 ceramics for metamaterialsapplications at terahertz frequenciesTitanium dioxyde (TiO2) is a promising dielectric material for the realization of metamaterials operating in the terahertz (THz) range. Indeed, these necessitate a high permittivity and low loss…Djihad Amina Djemmah, Delphine Gourdonnaud, Faycal Bouamrane et al.·Jun 24, 2026SaveLearn
The interplay of interfaces, supramolecular assembly, and electronics in organic semiconductorsOrganic semiconductors, which include a diverse range of carbon-based small molecules and polymers with interesting optoelectronic properties, offer many advantages over conventional inorganic…Belinda J. Boehm, Huong T. L. Nguyen, David M. Huang·Jun 24, 2026SaveLearn