%0 Journal Article
%T 掺Mo钨酸盐BaWO4中g因子和局部结构的研究<br>Research on the g factors and local structure of the Mo？？？？5+？？-〖JP2〗doped BaWO？？？？4？？ crystal
%A 余新鹏
%A 吴晓轩
%J 四川大学学报 (自然科学版)
%D 2015
%X 用建立在双机制模型的高阶微扰公式计算了X-射线照射的钨酸盐BaWO？？？？4？？中四角对称(MoO？？？？4？？)？？？？3？？？？ ？？Symbolm@@ 四面体基团的？？g？？ 因子，在这个模型中，不仅考虑了常用的晶场机制，而且还包括了常被忽略的荷移机制对？？g？？因子的贡献.计算结果表明，要合理和准确地计算高价态d？？？？n？？离子在晶体中的？？g？？因子，荷移机制的贡献应予考虑.通过计算，还获得了BaWO？？？？4？？中(MoO？？？？4？？)？？？？3？？？？ ？？Symbolm@@ 杂质中心的局部结构数据.<br>The high-order perturbation formulas based on the two-mechanism model are applied to calculate the g factors ？？g？？？？//？？？？ and ？？g？？？？？？⊥？？ of the tetragonal (MoO？？？？4？？)？？？？3？？？？ ？？Symbolm@@ center in BaWO？？？？4？？ crystal irradiated by X-ray. The model contains the contributions to g factors from both the crystal-field (CF) mechanism and charge-transfer (CT) mechanism (note: CT mechanism is neglected in the extensively-used CF theory). The calculated results are reasonably consistent with the experimental values. The calculations show that for the exact calculations of g factors of high valence state d？？？？n？？ ions in crystals, the contributions due to CT mechanism should also be considered. The local structure of (MoO？？？？4？？)？？？？3？？？？ ？？Symbolm@@ center is also estimated from the calculation
%K 晶体场和配位场理论 电子顺磁共振参量 局部结构 荷移机制 BaWO？？？？4？？ Mo？？？？5+&lt
%K br&gt
%K Crystal and ligand field theory Electron Paramagnetic resonance Local structure Charge transfer mechanism BaWO？？？？4？？ Mo？？？？5+
%U http://science.ijournals.cn/jsunature_cn/ch/reader/view_abstract.aspx?file_no=20154022&flag=1