The complete energy matrices (45 × 45) including low symmetry ligand field (C(4v)) and Coulomb interactions for 3d(8) ions have been constructed, and the high-order perturbation formulas of spin-Hamiltonian (SH) parameters g factors g(//), g(⊥) and zero-field splitting (ZFS) parameter D for ground state (3)A(2g) of the 3d(8) ions in the tetragonal symmetry environment have been derived. In those formulas both the crystal field (CF) mechanism and the charge transfer (CT) mechanism are taken into account. The complete energy matrices and the high-order perturbation formulas are applied to calculate the energy levels and SH parameters of the Ni(2+) ion in LiCl crystal respectively. The results are in reasonable agreement with the experimental data and indicate that CT mechanism plays important role in the understanding of SH parameters, especially the g factors. All the multiplet energy are assigned theoretically and the local structures of LiCl:Ni(2+) are established.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.saa.2012.08.041 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Recent advances in synthesis and application of Magnéli phase titanium oxides for energy storage and environmental remediation.
Chem Sci
January 2025
Applied Chemistry and Environmental Science, School of Science, STEM College, RMIT University Melbourne Victoria 3000 Australia
High-temperature reduction of TiO causes the gradual formation of structural defects, leading to oxygen vacancy planar defects and giving rise to Magnéli phases, which are substoichiometric titanium oxides that follow the formula Ti O, with 4 ≤ ≤ 9. A high concentration of defects provides several possible configurations for Ti and Ti within the crystal, with the variation in charge ordered states changing the electronic structure of the material. The changes in crystal and electronic structures of Magnéli phases introduce unique properties absent in TiO, facilitating their diverse applications.
View Article and Find Full Text PDFExploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS] functional units.
Chem Sci
January 2025
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou 350002 China
Traditional tetrahedral-based mid-to-far infrared (MFIR) nonlinear optical (NLO) crystals often face limitations due to the optical anisotropy constraints imposed by their highly symmetric structures. In contrast, the relatively rare trigonal pyramidal [TeS] functional unit characterized by its asymmetric structure and stereochemically active lone pair (SCALP), offers improved optical anisotropy, hyperpolarizability and a broader IR transparency range. Despite its potential, synthetic challenges have hindered the development of MFIR NLO crystals that incorporate this unit, with only one example reported to date.
View Article and Find Full Text PDFEffects of different combinations of noise index and preset adaptive statistical iterative reconstruction Veo on the accuracy and image quality of bone mineral density measurements using fast kilovolt-switching dual-energy computed tomography: a phantom study.
Quant Imaging Med Surg
January 2025
Department of Imaging Medicine and Nuclear Medicine, Shandong Second Medical University, Weifang, China.
Background: Rapid kilovolt (kV)-switching dual-energy computed tomography (DECT) has been increasingly applied to the measurement of lumbar spine bone mineral density (BMD) in humans and animal models. The objective of this study was to investigate the optimal parameters for the measurement of vertebral BMD. The BMD of the spinal model was measured by means of DECT in combination with different noise index (NI) and preset adaptive statistical iterative reconstruction Veo (ASiR-V) levels.
View Article and Find Full Text PDFMajority of hip fragility fractures among older people can be predicted by a DXA examination: an updated analysis of literature results and empirical Chinese data with a focus on the validation of the newly proposed osteofrailia criterion for men.
Quant Imaging Med Surg
January 2025
Jockey Club Centre for Osteoporosis Care and Control, Faculty of Medicine, The Chinese University of Hong Kong, Shatin, Hong Kong SAR, China.
Background: How different gender-specific bone mineral density cutpoint T-scores are associated with different hip fragility fracture (FFx) prediction sensitivity has not been well studied. This article presents an updated analysis of hip FFx prediction among older people by a dual-energy X-ray absorptiometry (DXA) measure, using literature results and our own Chinese data.
Methods: We systematically searched literature reports on DXA T-score results measured at the timepoint of a hip FFx.
Association between descending aorta wall thickness or wall area and cardiovascular disease risk factors in cardiovascular disease-free patients: a study based on water-calcium material decomposition and subtraction-based computed tomography dark-blood imaging.
Quant Imaging Med Surg
January 2025
Department of Radiology, The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.
Background: Due to the low contrast between the vascular lumen and vessel wall, conventional computed tomography (CT) is not an effective method for visualizing the vessel wall. The purpose of this study was to assess the feasibility of vessel wall visualization using contrast-enhanced dual-energy CT (DECT)-derived water-calcium material decomposition (WMD) and subtraction-based dark-blood imaging (DBI). An additional objective of this study was to determine the association of descending aorta wall thickness (WT) and wall area (WA) with cardiovascular disease (CVD) risk factors and to ascertain the potential of DECT-derived WT and WA as image markers for identifying individuals at high risk for future CVD.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!