来源：ACS PublicationsWe report ground states, equilibrium structures, and both electronic and electron paramagnetic resonance (EPR) spectra of divalent rare-earth metallocenes Ln(CpiPr5)2 as obtained from scalar and exact two-component (X2C) relativistic density functional theory (DFT) calculations. While the results for metallocenes with Ln = Nd, Sm, Eu, Tm, and Yb are consistent with a conventional (4f)n+1 configuration of the metal atom, metallocenes with Ln = La, Ce, Gd, and Lu are best described as having (4f)n(5d)1 ground states. Strong configuration mixing is observed for Ln = Pr; for Ln ...
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来源：TALANTA OPEN Volume11 DOI10.1016/j.talo.2025.100411Zinc oxide (ZnO) serves as a highly adaptable semiconductor with a crucial role in various applications because of its crystal structure compatibility and significant band gap. Fabricating ZnO nanomaterials with tailored characteristics has become a prevalent and current focus. Within this framework, the integration of rare earth metals sparks interest due to their distinctive 4f electronic configuration, providing an exceptional opportunity to manipulate ZnO's optical, luminescent, and surface properties. This article examines the impa...
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2025
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Melting temperature, emissivity, and thermal conductivity of rare-earth silicates for thermal and environmental barrier coatings source:SCRIPTA MATERIALIAIn recent years, rare-earth silicates have become the industry standard for coating state-of-the-art SiC ceramic matrix composite (CMC) gas turbine engine components, due to their low volatility, high melting point, and thermal shock resistance. Current research is focused on designing rare-earth silicate based thermal- environmental barrier coatings (T/EBCs) with improved resistance to CMAS (CaO-MgO-Al2O3-SiO2), steam, and crack formati...
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2025
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source:Phys.orgQuantum technologies, which leverage quantum mechanical effects to process information, could outperform their classical counterparts in some complex and advanced tasks. The development and real-world deployment of these technologies partly relies on the ability to transfer information between different types of quantum systems effectively.A long-standing challenge in the field of quantum technology is converting quantum signals carried by microwave photons (i.e., particles of electromagnetic radiation in the microwave frequency range) into optical photons (i.e., visible or near...
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2025
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