BiOCl/group-IV Xene bilayer heterojunctions: stability and electronic and photocatalytic properties.

Vertical van der Waals heterojunctions (HJs) composed of a photocatalytic star material BiOCl monolayer and group-IV Xene monolayer (silicene, germanene etc.) were studied by using first-principles calculations. Formation energy analysis and molecular dynamics simulation show that the BiOCl/Xene bilayer HJs can exist stably up to room temperature. Owing to evident charge redistribution and accumulation occurring between the bilayers, electron-hole puddles form and charge carrier transfer and separation occur in the HJs, which are beneficial to the improvement of photocatalytic performance. The HJ energy bands maintain the Dirac cones with almost linear dispersion curves, suggesting low effective mass and high mobility of carriers, and can be effectively tuned by strain. Our results show that the BiOCl/Xene bilayer HJs with high separation efficiency and high mobility of carriers and strain-adjustable bandgaps provide varieties in the functionalities of 2D van der Waals HJs and show great potentials in photocatalytic applications.

Characteristics and effects of global sloping land urbanization from 2000 to 2020.

Cities usually expand on flat land. However, in recent decades, the increasing scarcity of available flat land has compelled many cities to expand to sloping land (sloping land urbanization, SLU), and the understanding for global SLU is still unclear. This study, based on the currently available high-precision global Digital Elevation Model (FABDEM) and global land cover dataset (GlobeLand30), investigated the characteristics and impacts of SLU in 26,402 urban residential areas worldwide from 2000 to 2020. Results show that the total area of SLU globally is 16,383 km2, accounting for 9.54 % of the overall urban expansion. This phenomenon is widespread globally and relatively concentrated in a few countries, with 42.78 %, 24.35 %, and 21.83 % of the area coming from cultivated land, forest, and grassland respectively. Global SLU has accommodated 34.78 million urban population, and indirectly protected 8922 km2 of flat cultivated land, while causing a net loss of 4373 km2 of green ecological land. Deliberately balancing the dual effects of SLU is crucial for advancing sustainable global urbanization.

Synthesis and high-temperature ferromagnetism of Fe-doped SiGe diluted magnetic semiconductor thin films.

Fe-doped SiGe (Si0.25Ge0.75:Fex, x = 0.01, 0.025, and 0.05) thin films were prepared by radio frequency magnetron sputtering and subsequent rapid thermal annealing on a Ge (100) substrate and their structural, magnetic and magneto-transport properties were investigated. Structural characterization using AFM, SEM, XRD, and HRTEM shows that the obtained samples are polycrystalline and their lattice constants increase with the Fe concentration. Analysis of their electronic and spintronic states using XPS and XMCD reveals that Fe dopants mainly exist as substitutional Fe2+ ions in the SiGe lattice, providing both local magnetic moments and hole carriers. Furthermore, magnetization measurements indicate that all the samples exhibit ferromagnetism, and their Curie temperature increases with the Fe concentration up to 294 K; meanwhile, magneto-transport measurements reveal a giant magnetoresistance (GMR) effect of over 800% and an anomalous Hall effect (AHE), as well as semiconducting behaviors, in the samples. Further analysis suggests that the ferromagnetism comes from a hole-mediated process originating from substitutional Fe dopants in the SiGe matrix and this is enhanced by the tensile strain in the films. The synthesis and high-temperature ferromagnetism of Fe-doped SiGe thin films may play a key role in group IV-based spintronic applications.

Electronic Structures and Lattice Dynamics of Layered BiOCl Single Crystals.

BiOCl has recently elicited intense interest for its excellent photochemical catalysis, energy conversion, and photodetection performance. In this Letter, we systematically investigate BiOCl electronic properties, lattice dynamics, and structural stability. From first-principles calculations, bulk and monolayer BiOCl have ultraviolet indirect band gaps around 3.6 eV, consistent with reflection spectroscopy measurements. The large spin-orbit coupling effect of the Bi atom makes the lowest conduction band near the Z point in the Brillouin region move down 230 meV. However, because of the symmetrical crystal potential, BiOCl has no strong Rashba effect. We further observed all 6 BiOCl Raman-active modes with the lowest-frequency rigid layer in-plane vibrational mode at 63 cm-1, consistent with our calculations. Up to 500 K or down to monolayer thickness, the crystal structure of BiOCl remains stable. Our work provides detailed information on BiOCl electronic and vibrational properties and stability up to high temperature or down to monolayer, identifying it as a promising layered material for further nano-optoelectronic applications.