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Theoretical Investigations on the Molecular Magnetic Behavior of Actinide Molecules [AnPc] (An = U, Cf): Prediction of the High Magnetic Blocking Barrier and Magnetic Blocking Temperature in [CfPc].
J Phys Chem A
January 2025
School of Physical Science and Technology, Southwest University, Chongqing 400715, China.
Searching for single-molecule magnets (SMM) with large effective blocking barriers, long relaxation times, and high magnetic blocking temperatures is vitally important not only for the fundamental research of magnetism at the molecular level but also for the realization of new-generation magnetic memory unit. Actinides (An) atoms possess extremely strong spin-orbit coupling (SOC) due to their 5 orbitals, and their ground multiplets are largely split into several sublevels because of the strong interplay between the SOC of An atoms and the crystal field (CF) formed by ligand atoms. Compared to TM-based SMMs, more dispersed energy level widths of An-based SMMs will give a larger total zero field splitting (ZFS) and thus provide a necessary condition to derive a higher .
View Article and Find Full Text PDFElucidation of the Co state with strong charge-transfer effects in charged LiCoO by resonant soft X-ray emission spectroscopy at the Co L edge.
Phys Chem Chem Phys
December 2024
Debye Institute for Nanomaterials Science, Utrecht University, 3584 GG Utrecht, The Netherlands.
To understand the electronic-structure change of LiCoO, a widely used cathode material in Li-ion batteries, during charge-discharge, we performed soft X-ray absorption spectroscopy (XAS) and resonant soft X-ray emission spectroscopy (RXES) of the Co L edge in combination with charge-transfer multiplet calculations. The RXES profile significantly changed for the charged state at 4.2 V Li/Li, corresponding to the oxidation reaction from a Co low-spin state for the initial state, while the XAS profile exhibited small changes.
View Article and Find Full Text PDFKaonic nuclear clusters- a new paradigm of particle and nuclear physics.
Proc Jpn Acad Ser B Phys Biol Sci
December 2024
Department of Physics, The University of Tokyo, Tokyo, Japan.
Λ = Λ(1405) plays an essential role in the formation of kaonic nuclear clusters (KNC). The simplest KNC, Kpp, has the structure Λp = (Kp)p, in which a real kaon migrates between two nucleons, mediating super-strong Λp attraction. Production data of Kpp have been accumulated by DISTO, J-PARC E27 and J-PARC E15 experiments.
View Article and Find Full Text PDFYbRhSn: a valence fluctuating system with ultra-low thermal conductivity.
Dalton Trans
January 2025
Institut für Experimentelle Physik, TU Bergakademie Freiberg, Leipziger Straße 23, 09596 Freiberg, Germany.
YbRhSn crystallizes with a unique structural arrangement [space group 4/, = 9.6997(4) Å, = 13.7710(7) Å], which is related with primitive cubic YbRhSn and body-centered tetragonal (SnTb)TbRhSn types.
View Article and Find Full Text PDFAnalysis of chi angle distributions in free amino acids via multiplet fitting of proton scalar couplings.
Magn Reson (Gott)
August 2024
Department of Chemistry, Wesleyan University, Middletown, CT, United States.
Article Synopsis
- * The authors present a new method for analyzing complex scalar couplings in proteins using a weak-coupling model, implemented in the software FitNMR across different types of NMR spectra.
- * They expand the Karplus equations for better structural insights and develop a model accounting for side-chain motion, revealing deviations in certain amino acids compared to typical structural data.
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