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http://dx.doi.org/10.1103/PhysRevLett.68.686 | DOI Listing |
Innovation (Camb)
January 2025
Department of Physics and Guangdong Basic Research Center of Excellence for Quantum Science, Southern University of Science and Technology (SUSTech), Shenzhen 518055, China.
Transmission electron microscopy (TEM) is an indispensable tool for elucidating the intrinsic atomic structures of materials and provides deep insights into defect dynamics, phase transitions, and nanoscale structural details. While numerous intriguing physical properties have been revealed in recently discovered two-dimensional (2D) quantum materials, many exhibit significant sensitivity to water and oxygen under ambient conditions. This inherent instability complicates sample preparation for TEM analysis and hinders accurate property measurements.
View Article and Find Full Text PDFNPJ Comput Mater
January 2025
Computational Atomic-scale Materials Design (CAMD), Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark.
We conduct a systematic investigation of the role of Hubbard U corrections in electronic structure calculations of two-dimensional (2D) materials containing 3 transition metals. Specifically, we use density functional theory (DFT) with the PBE and PBE+U approximations to calculate the crystal structure, band gaps, and magnetic parameters of 638 monolayers. Based on a comprehensive comparison to experiments we first establish that the inclusion of the U correction worsens the accuracy for the lattice constants.
View Article and Find Full Text PDFNanoscale Horiz
January 2025
Institute of Materials Science of Barcelona (ICMAB-CSIC), Campus de la UAB, 08193, Bellaterra, Spain.
High-refractive-index (HRI) dielectrics are gaining increasing attention as building blocks for compact lasers. Their ability to simultaneously support both electric and magnetic modes provides greater versatility as compared to plasmonic platforms. Moreover, their reduced absorption loss minimizes heat generation, further enhancing their performance.
View Article and Find Full Text PDFACS Nano
January 2025
School of Science and Engineering, The Chinese University of Hong Kong, Shenzhen, Guangdong518172, China.
The hybrid magnetic heterostructures and superlattices, composed of organic and inorganic materials, have shown great potential for quantum computing and next-generation information technology. Organic materials generally possess designable structural motifs and versatile optical, electronic, and magnetic properties, but are too delicate for robust integration into solid-state devices. In contrast, inorganic systems provide robust solid-state interface and excellent electronic properties but with limited customization space.
View Article and Find Full Text PDFDalton Trans
January 2025
School of Materials Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212100, Jiangsu, China.
Five alkali metal manganese(III) fluorophosphates, KMn(POF)F (I), RbMn(POF)F (II), RbMn(POF)(PO)F (III), RbMn(POF)(PO)F (IV), and CsMn(POF)F (V), were successfully synthesized using a hydrothermal method. The monofluorophosphate anion (POF) groups work as "chemical scissors" to promote low-dimensional spin structures with the aid of alkali metal cations. I and II had an = 2 uniform chain structure formed by corner-sharing -MnOF octahedra.
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