摘要
本文利用d8(D4h)全组态混合统一晶场理论对Ni(pz)Br2型化合物的吸收光谱、基态ZFS、EPR参量、低温下的Schottky热容量和顺磁磁化率进行了统一的计算和理论分析，理论结果与实验观测值符合甚好。从而对Ni（Pz）4Br2的光、热、磁性质作出了完整的、合理的理论解释。
By means of a complete configuration mixing unified crystal field theory for d8(D4h),theoptical spectra and the ground state ZFS. EPR parameters and the low-temperature heatcapacity and the ground state paramagnetic susceptibility of the Ni (pz)4Br2 compounds areanalysed and calculated theoretically and systematically. All results agree well with the ex-perimental data, so as to obtain a complete and reasonable explanation for the optical.heatand magnetic properties of Ni(pz)4Br2 compounds.
基金
湖南省自然科学基金
关键词
Ni(pz)4Br2
晶体
光学性质
热学性质
磁学性质
Ni (pz)_4Br_2,Spectra
EPR parameters
Schottky heat capacity
Paramagnetic susceptibility
