利用电介质的平均能带模型计算了Bi2Sr2Can-1CunO2n+4 (n=1,2,3)的化学键参数.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Bi2Sr2Can-1CunO2n+4中的Missbauer同质异能位移,确定了57Fe和119Sn在Bi2Sr2Can-1CunO2n+4中的价态和占位情况.
By using the average bond-gap model ,the chemical bond properties of Bi2Sr2Can-1CunO2n+4 (n=1,2,3) were calculated . Mǒssbauer isomer shifts of 57Fe doped in Bi2Sr2Can-1CunO2n+4 and 119Sn doped in Bi2Sr2Can-1CunO2n+4 were calculated by using the chemical surrounding factor, he, definited by covalency and electronic polarizability. Four valence state tin and three valence iron sites were identified in 119Sn and 57Fe doped Bi2Sr2Can-1CunO2n+4 superconductor.
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