We established the basic electronic properties of ζ-PuOs, which is a close analogue to β-Pu, and its low-temperature variety, η-PuOs. Their magnetic susceptibility is 15% higher than for δ-Pu. A specific heat study of ζ-PuOs shows a soft lattice similar to δ-Pu, leading to a low Debye temperature Θ = 101 K. The linear electronic coefficient γ related to the quasiparticle density of states at the Fermi level points to a higher value, 55 ± 2 mJ (mol Pu K), compared to 40 mJ (mol K) for δ-Pu. The results confirm that β-Pu is probably the most strongly correlated Pu phase, as had been indicated by resistivity measurements. The volume and related Pu-Pu spacing is clearly not the primary tuning parameter for Pu metal, as the β-Pu density stands close to the ground-state α-phase and is much higher than that for δ-Pu. The η-PuOs phase has a record γ-value of 74 ± 2 mJ (mol Pu K). The enhancement is not reproduced by LDA+DMFT calculations in the fcc structure, which suggests that multiple diverse sites can be the key to the understanding of β-Pu.
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http://dx.doi.org/10.1088/1361-648X/aaa520 | DOI Listing |
ACS Nano
January 2025
School of Engineering, RMIT University, 124 La Trobe Street, Melbourne, Victoria 3001, Australia.
Modern-day applications demand onboard electricity generation that can be achieved using piezoelectric phenomena. Reducing the dimensionality of materials is a pathway to enhancing the piezoelectric properties. Transition-metal dichalcogenides have been shown to exhibit high piezoelectricity.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China.
High-level multireference configuration interaction plus Davidson correction (MRCI + Q) calculation method was employed to determine the potential energy curves (PECs) of 10 Λ-S states, which come from the first and second dissociation channels of the SbP molecule, as well as 34 Ω states considering the spin-orbit coupling (SOC) effect. By solving the Schrödinger equation for nuclear motion, spectroscopic constants for the ground state XΣ and low-lying excited states were obtained and compared with experimental data. The excellent agreement indicates the reliability of our calculations.
View Article and Find Full Text PDFJ Patient Rep Outcomes
January 2025
Division of Oral Surgery and Orthodontics, Department of Dental Medicine and Oral Health, Medical University of Graz, Graz, Austria.
Purpose: Zirconia dental implants show excellent biocompatibility and tissue integration, low affinity for plaque, and favorable biomechanical properties. However, these objective measures do not adequately replicate the patient's perception. This systematic review evaluated the evidence on patient-reported outcome (PROs) in zirconia dental implant treatment.
View Article and Find Full Text PDFInorg Chem
January 2025
Institute for Inorganic Chemistry and Center for Sustainable Systems Design (CSSD), Paderborn University, Paderborn 33098, Germany.
A series of Co complexes [Co(ImP)][PF], with HImP = 1,1'-(1,3-phenylene)bis(3-methyl-1-imidazole-2-ylidene)) and R = Me, Et, Pr, Bu, is presented in this work. The influence of the strong donor ligand on the ground and excited-state photophysical properties was investigated in the context of different alkyl substituents at the imidazole nitrogen. X-ray diffraction revealed no significant alterations of the structures and all differences in the series emerge from the electronic structures.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The photophysical properties of six new luminescent tetrahedral Zn(II) complexes are presented that survey two electronic donor moieties (phenolate and carbazolate) and three electronic acceptors (pyridine, pyrimidine, and pyrazine). A unique ligand based on an -terphenyl motif forms an eight-membered chelate, which enhances through-space charge-transfer (CT) interactions by limiting through-bond conjugation between the donor and acceptor. A single isomeric product was obtained in yields up to 90%.
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