Cu、Ag、Au价电子结构参数统计值及熔点的理论研究

Statistical Values of Valence Electron Structure Parameters and Theoretical Research of Melting Point of Cu,Ag and Au

基于"固体与分子经验电子理论"(EET),分析了Cu、Ag、Au的价电子结构,计算了一组表征金属单质性质的价电子结构参数统计值E′_A,T′_m,利用价电子结构参数统计值讨论了Cu、Ag、Au的熔点问题。计算结果表明,E′_A值越大,其对应金属的熔点越高,且E′_A的变化趋势与实验相吻合;Cu、Ag、Au熔点的统计值分别为T′_m^(Cu)=1 351.0 K、T′_m^(Ag)=1 126.2 K、T′_m^(Au)=1 305.0 K,相应的实验值偏差依次为0.41%、8.82%、2.33%,研究结果与实际符合较好。

Based on the empirical electron theory of solid and molecules（EET）,the valence electron structures of Cu,Ag, and Au were analyzed.The statistical values of valence electron structure parameters E＇_A and T＇_m,which characterize the properties of metal single element,were calculated.Furthermore,melting points of Cu,Ag and Au were calculated by the value of T＇_m and E＇_A.The calculations results show that the melting point of corresponding melt is higher when the value of E＇_A is bigger,and the change trend of E＇_A in accordance with the experiment.The statistical values of melting point of Cu,Ag and Au were T＇_m^（Cu）=1 351.0 K,T＇_m^（Ag）= 1 126.2 K,T＇_m^（Au）= 1 305.0 K,respectively.The corresponding deviation of experiment values are 0.41%,8.82%,2.33%.The research results agree well with real situations.