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文献arxiv2026-08-26http://creativecommons.org/licenses/by/4.0/

Inverse Design of Inorganic Compounds with Generative AI

Machine learning is revolutionizing chemistry. Beyond the value of predictive models accelerating virtual screening, generative AI aims at enabling inverse design, reversing the compound-to-property prediction paradigm into property-to-compound generation. Chemists now have access to a rich AI tool…

source:arxiv: 2604.11827
文献arxiv2026-08-26http://creativecommons.org/licenses/by/4.0/

Anisotropic Electrostatic-Elastic Softening and Stability in Charged Colloidal Crystals

Charged colloidal crystals exhibit a subtle interplay between electrostatic screening and elastic deformation. When an isotropic electrostatic volumetric softening acts on an anisotropic elastic background, the longitudinal acoustic response softens preferentially along specific crystallographic ax…

doi: 10.1063/5.0354632source:arxiv: 2604.17541
文献arxiv2026-08-26http://creativecommons.org/licenses/by/4.0/

Layer-number parity induced topological phase transition

We demonstrate that stacking topologically trivial layers, under enforced symmetry restrictions, yields emergent topological phases with protected boundary states. Remarkably, the number of layers itself acts as a topological switch, enabling the system to host topological bound states in the conti…

doi: 10.1103/jxhl-p79bsource:arxiv: 2602.18855
文献arxiv2026-08-26http://creativecommons.org/licenses/by/4.0/

Observation of hexagonal close-packed water ice at conditions in ice giant planetary interiors

Using synchrotron x-ray diffraction in laser-heated diamond anvil cells, we report the observation of an hexagonal close-packed (hcp) phase of water ice at high pressure and temperature conditions. Above 200 GPa and 1800 K, the hcp phase becomes dominant upon entering the superionic regime, as evid…

source:arxiv: 2510.24305
文献arxiv2026-08-26http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Fully Compensated Lines in Ferrimagnets

We generalize the classic Néel diagram and identify another type of ferrimagnetic phase that remains fully magnetically compensated below the Curie temperature, forming a continuous line of compensated points. It exhibits zero net magnetization while retaining non-relativistic, eV-scale reciprocal…

doi: 10.1103/tyhp-6khnsource:arxiv: 2601.22857
文献arxiv2026-08-26http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Intertwined Charge Stripes and Majorana Zero Modes in An Iron-Based Superconductor

In type-II superconductors, magnetic fields modulate the amplitude and phase of the superconducting order parameter, forming quantized vortices where superconductivity is locally suppressed and exotic bound states or competing electronic orders emerge. Using spectroscopic-imaging scanning tunneling…

source:arxiv: 2601.15873
文献arxiv2026-08-26http://creativecommons.org/licenses/by/4.0/

Electric-current control of anomalous Hall effect

We demonstrate robust and reversible electric-current control of the anomalous Hall effect (AHE) in a two-dimensional WTe2/Fe3GeTe2 (FGT) stack. Applying a current through Td-WTe2 leads to a giant modulation of the AHE of the adjacent FGT layer, with the relative change of the AHE conductivity exce…

source:arxiv: 2601.03744
文献arxiv2026-08-26http://creativecommons.org/licenses/by/4.0/

Cobalt-Controlled Interphase Partitioning Regulates Matrix Solute Transport and $γ'$ Coarsening in Ti-Rich NiCoCr-Based Superalloys

The microstructural stability and mechanical response of $γ/γ'$ superalloys at elevated temperatures are governed by solute chemistry and elemental partitioning across the $γ/γ'$ heterophase interface. Conventionally, a lower $γ^{\prime}$ solvus temperature and a larger $γ/γ^{\prime}$ lattice misfi…

source:arxiv: 2507.15447
文献arxiv2026-08-26http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Active Learning of a Neural Network Potential for Large-Scale Atomistic Simulations of Polymer Electrolyte Membranes

Machine learning interatomic potentials (MLIPs) can achieve near density-functional-theory (DFT) accuracy at force-field computational cost; however, long-time, large-scale molecular dynamics (MD) simulations often fail when trajectories sample local atomic environments that are underrepresented in…

doi: 10.1021/acs.jpcb.6c04744source:arxiv: 2503.20412
文献arxiv2026-08-26http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Low Energy Excitations in a [4]Triangulene Honeycomb Antiferromagnet

Carbon-based synthetic lattices offer a versatile platform for the realization and control of correlated quantum effects at the nanoscale. Advances in on-surface synthesis have facilitated the fabrication of increasingly complex molecular frameworks, opening new avenues for the exploration and engi…

source:arxiv: 2301.06171
文献arxiv2026-08-25http://creativecommons.org/publicdomain/zero/1.0/

Origin of High-Temperature Antiferromagnetic Order in a van der Waals Material

While Van der Waals (vdW) itinerant antiferromagnets with high Neel temperatures (TN) are highly desirable for spintronics, they remain relatively scarce. Here, we unravel the physical origin of the unusually high TN (= 250 K) in the newly identified vdW compound (Fe0.65Co0.35)4GeTe2. The substitut…

source:arxiv: 2608.25209
文献arxiv2026-08-25http://arxiv.org/licenses/nonexclusive-distrib/1.0/

First-Principles Prediction of Nonlinear Optical Response in $\text{TiO}_2$ for High-Power Dielectric Mirror Applications

Dielectric multilayer mirrors are essential components in optical experiments using high-power lasers, where titanium dioxide ($\text{TiO}_2$) is widely employed as a high-refractive-index dielectric material. In this study, we investigate the nonlinear optical response of $\text{TiO}_2$ under inte…

source:arxiv: 2608.25129
文献arxiv2026-08-25http://arxiv.org/licenses/nonexclusive-distrib/1.0/

High-pressure phase transitions in the quantum spin liquid candidate Na2Co2TeO6 probed by Raman spectroscopy

The quasi-2D magnet Na2Co2TeO6 (NCTO) is a candidate for a Kitaev Quantum Spin Liquid (KQSL) state. Pressure-tuning in such materials is of interest as a potential method to tune the Kitaev exchange interactions, which are strongly dependent on bond geometry. Here we report a Raman spectroscopic st…

source:arxiv: 2608.25076
文献arxiv2026-08-25http://creativecommons.org/licenses/by/4.0/

Tuning Dirac-Rashba and Double Dirac Cone Surface States of Topological Crystalline Insulator Pb$_{1-x}$Sn$_{x}$Se by Transition Metal Adsorbate

The electronic structure of topological insulator/magnetic metal (TI/MM) interfaces is of great importance for understanding of exotic spin-dependent phenomena and realization of advanced spin-orbitronic devices. Here, we employ a model system of submonolayer transition metal (TM) deposited on the…

source:arxiv: 2608.25156
文献arxiv2026-08-25http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Two Microscopic Mechanisms of Piezomagnetism in CoF$_2$ from First-Principles Calculations

Rutile-structured CoF$_2$ has long been recognized as a prototypical piezomagnetic material. Recently, it has attracted renewed interest as an altermagnet, exhibiting spin-split electronic bands even in the absence of spin-orbit coupling. Although the piezomagnetic response of CoF$_2$ has been exte…

source:arxiv: 2608.24227
文献arxiv2026-08-25http://arxiv.org/licenses/nonexclusive-distrib/1.0/

A hidden low-temperature transformation pathway in compositionally complex materials

Most compositionally complex materials (CCMs, frequently referred to as high entropy alloys) are metastable and their attractive properties often belong to kinetically trapped states. However, pathways towards lower-free-energy phase states governing long-term stability, can remain hidden because d…

source:arxiv: 2608.24357
文献arxiv2026-08-25http://creativecommons.org/licenses/by/4.0/

Engineering Dirac interface states

We 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, current-conserving matching conditions yield analytic expressions for the existence, localization and disper…

source:arxiv: 2608.24006
文献arxiv2026-08-25http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Enhanced Superconductivity in Multilayer FeSe Films by Simplified Molecular Beam Epitaxy

Multi-unit-cell (UC) \b{eta}-FeSe films grown on SrTiO3(100) continue to attract attention because of the significant enhancement in the superconducting transition temperature (Tc) compared to that in bulk FeSe. In prior reports of molecular beam epitaxy (MBE)-grown \b{eta}-FeSe/SrTiO3(100), elabor…

source:arxiv: 2608.24710
文献arxiv2026-08-25http://creativecommons.org/licenses/by/4.0/

Excitonic fingerprints of magnetic configurations and switching in multilayer CrSBr

The 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 magnetic order, making their optical response sensitive to the underlying magnetization. Here, we show that…

source:arxiv: 2608.24216