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Theoretical study on the local structure and the spin‐Hamiltonian parameters for Ni 2+ ions at Nb sites in LiNbO 3 crystal
Author(s) -
Wei Qun,
Xu QiMing,
Yang ZiYuan,
Zhang DongYun,
Zhang JianGuo
Publication year - 2008
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200743118
Subject(s) - ion , hamiltonian (control theory) , crystal structure , crystal (programming language) , chemistry , condensed matter physics , physics , crystallography , atomic physics , quantum mechanics , mathematics , mathematical optimization , computer science , programming language
The relations between the spin‐Hamiltonian (SH) parameters and crystal structure of LiNbO 3 :Ni 2+ crystal have been established using the SH theory. On this basis, the SH parameters of LiNbO 3 :Ni 2+ crystal have been calculated. The calculated results are in good agreement with experimental data, and this shows that the model adopted is reasonable. Also, the contributions to SH parameters from spin triplets and spin singlets are discussed. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)