Open AccessLocal lattice structure and spin singlet contribution to zero-field splitting of ZnS:Cr2+
Author(s) -
卢成,
王丽,
卢志文,
宋海珍,
李根全
Publication year - 2011
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.60.087601
Subject(s) - singlet state , zero field splitting , ion , lattice (music) , condensed matter physics , physics , energy level splitting , doping , field (mathematics) , materials science , atomic physics , molecular physics , spin polarization , quantum mechanics , electron , excited state , mathematics , acoustics , pure mathematics
Using the unified ligand-field-coupling scheme, the 210210 complete energy matrices including all the spin states for d4 configuration transition metal ions are constructed within a strong field representation. By diagonalizing the complete energy matrices, the local lattice structure and the Jahn-Teller energy of Cr2+ ions doped into ZnS are investigated. It is found that the theoretical results are in good agreement with the experimental data. Moreover, the contribution of the spin singlet to the zero-field splitting (ZFS) parameter of Cr2+ ions doped into ZnS is also investigated. The results indicate that the spin singlet contribution to ZFS parameter D is negligible, but the contribution to ZFS parameters a and F may not be neglected.