引用本文:
漆德威. ZnWO4 : Ni2+晶体中Oh C2v C2群链分解的能级分裂计算[J]. 物理化学学报,
1987, 3(02): 209-212.
doi:
10.3866/PKU.WHXB19870217
Citation: Qi Dewei. CALCULATION FOR THE SPLITTING OF CRYSTAL FIELD ENERGY LEVELS OF Oh C2v C2 GROUP CHAIN IN ZnWO4 : Ni2+ CRYSTAL[J]. Acta Physico-Chimica Sinica, 1987, 3(02): 209-212. doi: 10.3866/PKU.WHXB19870217
Citation: Qi Dewei. CALCULATION FOR THE SPLITTING OF CRYSTAL FIELD ENERGY LEVELS OF Oh C2v C2 GROUP CHAIN IN ZnWO4 : Ni2+ CRYSTAL[J]. Acta Physico-Chimica Sinica, 1987, 3(02): 209-212. doi: 10.3866/PKU.WHXB19870217
ZnWO4 : Ni2+晶体中Oh C2v C2群链分解的能级分裂计算
English
CALCULATION FOR THE SPLITTING OF CRYSTAL FIELD ENERGY LEVELS OF Oh C2v C2 GROUP CHAIN IN ZnWO4 : Ni2+ CRYSTAL
Abstract:
An analytic approximation wave function of free ion Ni~(2+) is obtained from Watson′s SCF-3d orbit. Crystal field energy levels in the ZnWO_4 : Ni~(2+) crystal are then calculated with this wave function using ligand theory. The calculation are based on real C_2 symmetry of the crystal and according to the descending symmetry devided in two steps. O_h C_(2v) and C_(2v) C_2. Sometimes it is difficult to determine the numerous parameters from spectral data in case of lower symmetry crystal. We try to overcome this difficulty. The theoretical calculations are in od agreement with the experimental results.
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