SrRuO_{3} heterostructures grown in the (111) direction are a rare example of thin film ferromagnets. By means of density functional theory plus dynamical mean field theory we show that the half-metallic ferromagnetic state with an ordered magnetic moment of 2 μ_{B}/Ru survives the ultimate dimensional confinement down to a bilayer, even at elevated temperatures of 500 K. In the minority channel, the spin-orbit coupling opens a gap at the linear band crossing corresponding to 3/4 filling of the t_{2g} shell. We predict that the emergent phase is Haldane's quantum anomalous Hall state with Chern number C=1, without an external magnetic field or magnetic impurities.
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http://dx.doi.org/10.1103/PhysRevLett.119.026402 | DOI Listing |
Adv Sci (Weinh)
January 2025
Yunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan University, Kunming, 650091, China.
Far-red phosphors have emerged as a desirable research hotspot owing to their critical role in promoting plant growth. Especially, Eu ions typically present the D→F (J = 0, 1, 2, 3, 4) transitions, which overlap with the far-red light required for plant photosynthesis. However, achieving high-efficiency far-red emission of Eu remains challenging due to weak D→F transition and concentration quenching.
View Article and Find Full Text PDFInorg Chem
January 2025
Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), School of Material Science and Engineering, Shandong University, Jinan 250061, P. R. China.
In this work, CaWO (CWO) phosphors were successfully synthesized using a high-temperature solid-state method, exhibiting an anomalous far-red/near-infrared (FR-NIR) emission centered at 685 nm. The origin of this FR-NIR emission is confirmed through Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), density functional theory (DFT) calculations, and heterovalent cationic substitution (Y/Na → Ca). These analyses indicate that interstitial oxygen (O) defects within the lattice are primarily responsible for the FR-NIR emission.
View Article and Find Full Text PDFNat Commun
January 2025
International Centre for Quantum Materials, Collaborative Innovation Centre of Quantum Matter, Peking University, Beijing, China.
The anomalous photovoltaic effect (APE) in polar crystals is a promising avenue for overcoming the energy conversion efficiency limits of conventional photoelectric devices utilizing p-n junction architectures. To facilitate effective photocarrier separation and enhance the APE, polar materials need to be thinned down to maximize the depolarization field. Here, we demonstrate Janus MoSSe monolayers (~0.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha No 10, Bandung 40132, Jawa Barat, Indonesia.
The magnetic, electronic, and topological properties of GdPtBi were systematically investigated using first-principles density functional theory (DFT) calculations. Various magnetic configurations were examined, including ferromagnetic (FM) and antiferromagnetic (AFM) states, with particular focus on AFM states where the Gd magnetic moments align either parallel (AFM) or perpendicular (AFM) to the [111] crystal direction. For AFM, the in-plane angles were varied at = 0°, 15°, and 30° (denoted as AFM, AFM, and AFM, respectively).
View Article and Find Full Text PDFJ Chem Phys
January 2025
State Key Laboratory of Hydroscience and Engineering, Department of Hydraulic Engineering, Tsinghua University, Beijing 100084, China.
Structural indicators, also known as structural descriptors, including order parameters, have been proposed to quantify the structural properties of water to account for its anomalous behaviors. However, these indicators, mainly designed for bulk water, are not naturally transferrable to the vicinity of ions due to disruptions in the immediate neighboring space and a resulting loss of feature completeness. To address these non-bulk defects, we introduced a structural indicator that draws on the concept of clique number from graph theory and the criterion in agglomerative clustering, denoted as the average cluster number.
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