Probing the electronic structure of polynuclear metal clusters with total electron spin S > 1/2 and significant zero-field splitting; Application to the clusters of the nitrogenase MoFe-proteinElectronic supplementary information (ESI) available: Spectral simulations of P. furiosus ferredoxin, of the alternative nitrogenase FeV-cofactor signal and for the FeMo-cofactor from K. pneumoniae under turn-over conditions. See http://www.rsc.org/suppdata/cp/b1/b110486c/

2002 ◽  
Vol 4 (11) ◽  
pp. 2356-2364 ◽  
Author(s):  
Jan Petersen ◽  
David J. Lowe
Keyword(s):  
Electronic Structure ◽  
Metal Clusters ◽  
Supplementary Information ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Total Electron ◽  
Femo Cofactor ◽  
Alternative Nitrogenase ◽  
Spectral Simulations ◽  
Turn Over

Correlating the axial Zero Field Splitting with the slow magnetic relaxation in GdIII SIMs

2021 ◽  
Author(s):  
Júlia Mayans ◽  
Albert Escuer
Keyword(s):  
Magnetic Relaxation ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Slow Magnetic Relaxation

A possible relation between the value of the axial Zero Field Splitting and the occurrence of field-induced slow magnetic relaxation has been established for a new gadolinium(iii) compound.

VERIFICATION OF ZERO-FIELD SPLITTING THEORY FOR SPIN S = 2 IONS IN MAGNETIC INSULATORS

1988 ◽  
Vol 49 (C8) ◽  
pp. C8-931-C8-932 ◽  
Author(s):  
Czesław Rudowicz
Keyword(s):  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Magnetic Insulators

scholarly journals Creation of Negatively Charged Boron Vacancies in Hexagonal Boron Nitride Crystal by Electron Irradiation and Mechanism of Inhomogeneous Broadening of Boron Vacancy-Related Spin Resonance Lines

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1373
Author(s):  
Fadis F. Murzakhanov ◽  
Boris V. Yavkin ◽  
Georgiy V. Mamin ◽  
Sergei B. Orlinskii ◽  
Ivan E. Mumdzhi ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Electron Irradiation ◽  
Near Infrared ◽  
Hexagonal Boron Nitride ◽  
Optical Excitation ◽  
High Energy ◽  
Infrared Range ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Spin Resonance

Optically addressable high-spin states (S ≥ 1) of defects in semiconductors are the basis for the development of solid-state quantum technologies. Recently, one such defect has been found in hexagonal boron nitride (hBN) and identified as a negatively charged boron vacancy (VB−). To explore and utilize the properties of this defect, one needs to design a robust way for its creation in an hBN crystal. We investigate the possibility of creating VB− centers in an hBN single crystal by means of irradiation with a high-energy (E = 2 MeV) electron flux. Optical excitation of the irradiated sample induces fluorescence in the near-infrared range together with the electron spin resonance (ESR) spectrum of the triplet centers with a zero-field splitting value of D = 3.6 GHz, manifesting an optically induced population inversion of the ground state spin sublevels. These observations are the signatures of the VB− centers and demonstrate that electron irradiation can be reliably used to create these centers in hBN. Exploration of the VB− spin resonance line shape allowed us to establish the source of the line broadening, which occurs due to the slight deviation in orientation of the two-dimensional B-N atomic plains being exactly parallel relative to each other. The results of the analysis of the broadening mechanism can be used for the crystalline quality control of the 2D materials, using the VB− spin embedded in the hBN as a probe.

The role of zero-field splitting and π-stacking interaction of different nitrogen-donor ligands on the optical properties of luminescent rhenium tricarbonyl complexes

2021 ◽  
Author(s):  
Plinio Cantero-López ◽  
Yoan Hidalgo-Rosa ◽  
Zoraida Sandoval-Olivares ◽  
Julián Santoyo-Flores ◽  
Pablo Mella ◽  
...  
Keyword(s):  
Excited States ◽  
Coordination Compounds ◽  
Donor Ligands ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Nitrogen Donor Ligands ◽  
Nitrogen Donor ◽  
Π Stacking Interaction ◽  
Rhenium Tricarbonyl

Rhenium tricarbonyl complexes are one of the most important classes of coordination compounds in inorganic chemistry. Exploring their luminescent excited states, lowest singlet (S1), and the lowest triplet (T1), is...

Calculation of EPR spectra of Fe3+ with high zero-field splitting in polycrystalline materials

1975 ◽  
Vol 67 (2) ◽  
pp. 461-469 ◽  
Author(s):  
M. Ya. Shcherbakova ◽  
V. E. Istomin
Keyword(s):  
Epr Spectra ◽  
Polycrystalline Materials ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting
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