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利用电介质的平均能带模型计算了 REBa2Cu3O7(RE=Eu,Y)的化学键参数,得到 Cu(1)-O键的平均共价性为0.41, Cu(2)-O 键的平均共价性为 0.28.应用由共价性和极化率定义的化学环境因子计算了57Fe和119Sn在 REBa2Cu3O7中的 Mossbauer同质界能位移,确定了 57Fe在 EuBa2Cu3O7和 119Sn在 YBa2Cu3O7中的价态和占位情况
The chemical bond parameters of REBa2Cu3O7 (RE = Eu, Y) were calculated using the average energy band model of the dielectric. The average covalentness of Cu (1) -O bonds was found to be 0.41. The average covalentness of Cu (2) -O bonds Sex is 0.28. The Mossbauer homogenous energy shift of 57Fe and 119Sn in REBa2Cu3O7 was calculated using chemical environmental factors defined by covalency and polarizability, and the valence and occupancy of 57Fe in YBa2Cu3O7