Motivated by recent experimental observations of opposite Chern numbers in R-type twisted MoTe2and WSe2homobilayers, we perform large-scale density-functional-theory calculations with machine learning force fields to investigate moiré band topology across a range of twist angles in both materials. We find that the Chern numbers of the moiré frontier bands change sign as a function of twist angle, and this change is driven by the competition between moiré ferroelectricity and piezoelectricity. Our large-scale calculations, enabled by machine learning methods, reveal crucial insights into interactions across different scales in twisted bilayer systems. The interplay between atomic-level relaxation effects and moiré-scale electrostatic potential variation opens new avenues for the design of intertwined topological and correlated states, including the possibility of mimicking higher Landau level physics in the absence of magnetic field.
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Abstract Free, publicly-accessible full text available December 1, 2025 -
Abstract Understanding the fluorescence resonance energy transfer (FRET) of metal nanoparticles at the atomic level has long been a challenge due to the lack of accurate systems with definite distance and orientation of molecules. Here we present the realization of achieving FRET between two atomically precise copper nanoclusters through cocrystallization-induced spatial confinement. In this study, we demonstrate the establishment of FRET in a cocrystallized Cu8(
p -MBT)8(PPh3)4@Cu10(p -MBT)10(PPh3)4system by exploiting the overlapping spectra between the excitation of the Cu10(p -MBT)10(PPh3)4cluster and the emission of the Cu8(p -MBT)8(PPh3)4cluster, combined with accurate control over the confined space between the two nanoclusters. Density functional theory is employed to provide deeper insights into the role of the distance and dipole orientations of molecules to illustrate the FRET procedure between two cluster molecules at the electronic structure level.Free, publicly-accessible full text available December 1, 2025 -
Abstract Stacking two semiconducting transition metal dichalcogenide (MX2) monolayers to form a heterobilayer creates a new variety of semiconductor junction with unique optoelectronic features, such as hosting long-lived dipolar interlayer excitons. Despite many optical, transport, and theoretical studies, there have been few direct electronic structure measurements of these junctions. Here, we apply angle-resolved photoemission spectroscopy with micron-scale spatial resolution (
µ ARPES) to determine the band alignments in MoSe2/WSe2heterobilayers, usingin-situ electrostatic gating to electron-dope and thus probe the conduction band edges. By comparing spectra from heterobilayers with opposite stacking orders, that is, with either MoSe2or WSe2on top, we confirm that the band alignment is type II, with the valence band maximum in the WSe2and the conduction band minimum in the MoSe2. The overall band gap isE G= 1.43 ± 0.03 eV, and to within experimental uncertainty it is unaffected by electron doping. However, the offset between the WSe2and MoSe2valence bands clearly decreases with increasing electron doping, implying band renormalisation only in the MoSe2, the layer in which the electrons accumulate. In contrast,µ ARPES spectra from a WS2/MoSe2heterobilayer indicate type I band alignment, with both band edges in the MoSe2. These insights into the doping-dependent band alignments and gaps of MX2heterobilayers will be useful for properly understanding and ultimately utilizing their optoelectronic properties. -
Abstract Iron-based 1111-type superconductors display high critical temperatures and relatively high critical current densities
J c. The typical approach to increasingJ cis to introduce defects to control dissipative vortex motion. However, when optimized, this approach is theoretically predicted to be limited to achieving a maximumJ cof only ∼30% of the depairing current densityJ d, which depends on the coherence length and the penetration depth. Here we dramatically boostJ cin SmFeAsO1–x Hx films using a thermodynamic approach aimed at increasingJ dand incorporating vortex pinning centres. Specifically, we reduce the penetration depth, coherence length and critical field anisotropy by increasing the carrier density through high electron doping using H substitution. Remarkably, the quadrupledJ dreaches 415 MA cm–2, a value comparable to cuprates. Finally, by introducing defects using proton irradiation, we obtain highJ cvalues in fields up to 25 T. We apply this method to other iron-based superconductors and achieve a similar enhancement of current densities. -
Ever since the discovery of the charge density wave (CDW) transition in the kagome metal, the nature of its symmetry breaking has been under intense debate. While evidence suggests that the rotational symmetry is already broken at the CDW transition temperature (), an additional electronic nematic instability well belowhas been reported based on the diverging elastoresistivity coefficient in the anisotropic channel (). Verifying the existence of a nematic transition belowis not only critical for establishing the correct description of the CDW order parameter, but also important for understanding low-temperature superconductivity. Here, we report elastoresistivity measurements ofusing three different techniques probing both isotropic and anisotropic symmetry channels. Contrary to previous reports, we find the anisotropic elastoresistivity coefficientis temperature independent, except for a step jump at. The absence of nematic fluctuations is further substantiated by measurements of the elastocaloric effect, which show no enhancement associated with nematic susceptibility. On the other hand, the symmetric elastoresistivity coefficientincreases below, reaching a peak value of 90 at. Our results strongly indicate that the phase transition atis not nematic in nature and the previously reported diverging elastoresistivity is due to the contamination from thechannel.
Published by the American Physical Society 2024 Free, publicly-accessible full text available July 1, 2025 -
Free, publicly-accessible full text available January 1, 2026
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Extracting structured data from organic synthesis procedures using a fine-tuned large language model
An open-source fine-tuned large language model can extract reaction information from organic synthesis procedure text into structured data that follows the Open Reaction Database (ORD) schema.
Free, publicly-accessible full text available September 11, 2025 -
Free, publicly-accessible full text available September 10, 2025
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Free, publicly-accessible full text available September 3, 2025