Microscopic origins of the zero-field splitting parameters for 6S(3d5) state ions at tetragonal symmetry crystal field

2010 ◽  
Vol 405 (23) ◽  
pp. 4740-4745 ◽  
Author(s):  
Zi-Yuan Yang
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.


1993 ◽  
Vol 191 (3-4) ◽  
pp. 323-333 ◽  
Author(s):  
Czeslaw Rudowicz ◽  
Maolu Du ◽  
Yau-yuen Yeung ◽  
Yi-yang Zhou

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