Nonvanishing Electric Field Gradients, Zero-Field Splitting, and Magnetic Field Energies ofS6-State Ferric Ion in Tetragonal Symmetry

1966 ◽  
Vol 149 (1) ◽  
pp. 198-200 ◽  
Author(s):  
Gilda M. Harris ◽  
Mitchell Weissbluth
1994 ◽  
Vol 49 (11) ◽  
pp. 1013-1015 ◽  
Author(s):  
Jia-Jun Chen ◽  
Mao-Lu Du ◽  
Zhao-Ming Li

Abstract This paper presents a cluster approach to the zero-field splitting (ZFS) of the ground state 3A2(F) of d8 ions with tetragonal symmetry, in which not only the spin-orbit coupling of the central transition-metal-ion but also that of ligands contributes. For some pseudo-tetragonal Ni(II) com­ pounds the calculated values of the ZFS parameter follow the order Cl-> Br-> I-. This agrees with the experimental finding, while the pure crystal field approach considering only the coupling of central metal ion yields the opposite trend.


2005 ◽  
Vol 60 (6) ◽  
pp. 429-432
Author(s):  
Wen-Chen Zheng ◽  
Sheng Tang ◽  
Xiao-Xuan Wu

The displacements of Fe3+ (at the Ta5+ site) along the [001] direction in KTaO3 crystal, caused by the electric field, have been studied by calculating the electric-field-induced zero-field splittings from the microscopic mechanisms and the empirical superposition model. It is found that the Fe3+ displacements obtained by the two methods at the same electric-field strength and temperature are close to each other. These displacements are also close to that estimated from the force-balance equation. It is suggested that the electric-field-induced zero-field splitting can be attributed primarily to the above displacement and the temperature dependence of the electric-field-induced zero-field splitting is mainly due to the change in the dielectric constant of KTaO3 with temperature.


2021 ◽  
Vol 50 (10) ◽  
pp. 3468-3472
Author(s):  
Roman Boča ◽  
Ján Titiš ◽  
Cyril Rajnák ◽  
J. Krzystek

Magnetochemical standard HgCo(NCS)4 with positive zero-field splitting parameter D displays a slow magnetic relaxation strongly dependent upon the external magnetic field.


2006 ◽  
Vol 61 (7-8) ◽  
pp. 371-374
Author(s):  
Xiao-Ming Tan ◽  
Xiao-Yu Kuang ◽  
Kang-Wei Zhou ◽  
Cheng Lu ◽  
Qin-Sheng Zhu

By diagonalizing the complete energy matrix of a d4 configuration ion in tetragonal symmetry, the zero-field-splitting parameters a, D and F of InP:Cr2+ have been studied. The local structure distortion parameters ΔR = 0.08 Å and Δθ = 1.01◦ were estimated. They show an expansion distortion around Cr2+ in the InP semiconductor. The Jahn-Teller energy EJT is found to be about 413 cm−1, which agrees well with the experiment. - PACS numbers: 75.10.Dg; 76.30.-v


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