Search for: All records

Lead iodide (PbI2) has gained much interest due to its direct electronic gap in the visible range and layered crystal structure. It has thereby been considered as a promising material for applications in atomically thin optoelectronic devices. In this work, we present a detailed investigation of the effect of spin–orbit coupling (SOC) that arises from the presence of heavy atoms on the electronic and optical properties of PbI2 using first-principles calculations based on density-functional theory and many-body perturbation theory. We find that SOC not only alters the bandgap but also induces the mixing of orbital characters, resulting in a significant change in the overall band structure and charge carrier effective masses. Moreover, the band orbital mixing caused by SOC results in the dramatic change in optical transition matrix elements and, correspondingly, the absorption spectrum. Our experimentally measured absorption spectra validate the calculation results and demonstrate the importance of SOC in the optical processes of PbI2. Our findings provide insights that are important for the potential use of PbI2 as a material platform for visible optoelectronic devices. 

ABSTRACT Grassland ecosystems play essential roles in global carbon cycling and biodiversity conservation, yet it remains unclear whether belowground productivity is less sensitive to environmental change than aboveground productivity. Previous studies have predominantly focused on aboveground net primary productivity (ANPP) stability, potentially overestimating ecosystem vulnerability by neglecting critical belowground processes. By synthesizing 1513 observations from 113 studies across 85 grassland ecosystems worldwide, we quantified the responses of productivity, temporal stability, and carbon allocation to nine global change drivers, including nutrient enrichment, altered precipitation, elevated CO₂, warming, mowing, and grazing. Our results reveal that belowground net primary productivity (BNPP) stability shows generally weaker responses to global change drivers than ANPP stability. In addition, variation in ANPP stability was most closely associated with broad‐scale climatic indices of water supply (precipitation and aridity, used here as proxies for plant‐available soil water), whereas BNPP stability was more closely associated with edaphic context (soil moisture‐related and fertility‐related properties). These distinct patterns suggest that broad‐scale climatic variability is more strongly reflected in aboveground stability, whereas belowground stability is better captured by edaphic predictors related to water retention and nutrient availability. Moreover, variation in belowground carbon allocation was consistently associated with stronger coordination between above‐ and belowground responses and with the maintenance of BNPP stability under global‐change perturbations, suggesting a potential allocation‐related pathway linked to ecosystem resistance. Our findings challenge traditional ecological theories emphasizing unified above‐belowground responses and suggest that previous research focusing solely on aboveground processes may have overestimated grassland vulnerability. This synthesis provides critical insights for predicting grassland ecosystem stability and functioning under ongoing global environmental changes. 

Abstract Twisted 2D materials form complex moiré structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three transverse periodic lattice distortions (PLD). The torsional PLD amplitude provides a single order parameter that concisely describes the structural complexity of twisted bilayer moirés. Moreover, the structure and amplitude of a torsional periodic lattice distortion is quantifiable using rudimentary electron diffraction methods sensitive to reciprocal space. In twisted bilayer graphene, the torsional PLD begins to form at angles below 3.89° and the amplitude reaches 8 pm around the magic angle of 1. 1°. At extremely low twist angles (e.g. below 0.25°) the amplitude increases and additional PLD harmonics arise to expand Bernal stacked domains separated by well defined solitonic boundaries. The torsional distortion field in twisted bilayer graphene is analytically described and has an upper bound of 22.6 pm. Similar torsional distortions are observed in twisted WS 2 , CrI 3 , and WSe 2 /MoSe 2 . 

Abstract Compelling evidence suggests distinct correlated electron behavior may exist only in clean 2D materials such as 1T-TaS 2 . Unfortunately, experiment and theory suggest that extrinsic disorder in free standing 2D layers disrupts correlation-driven quantum behavior. Here we demonstrate a route to realizing fragile 2D quantum states through endotaxial polytype engineering of van der Waals materials. The true isolation of 2D charge density waves (CDWs) between metallic layers stabilizes commensurate long-range order and lifts the coupling between neighboring CDW layers to restore mirror symmetries via interlayer CDW twinning. The twinned-commensurate charge density wave (tC-CDW) reported herein has a single metal–insulator phase transition at ~350 K as measured structurally and electronically. Fast in-situ transmission electron microscopy and scanned nanobeam diffraction map the formation of tC-CDWs. This work introduces endotaxial polytype engineering of van der Waals materials to access latent 2D ground states distinct from conventional 2D fabrication.