稀土金属基准晶形成规律研究及预测

Formation Mechanism of Rare Earth Metals Based Quasicrystals

研究了原子尺寸因数和电子因素对准晶形成的影响。利用原子尺寸因数和电子因素构成键参数坐标系统,对稀土族13个金属(La,Ce,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Er,Yb,Lu)基,已有实验结果的55个准晶进行了系统的研究。研究结果表明:在键参数图中,准晶合金形成区与非形成区明显区分开,准确率为92.73%,并且区分边界可用一条椭圆函数曲线描述,椭圆曲线方程为:(x-m)2c2+(y-n)d22=1,椭圆曲线参数m,n,c,d可由基体元素的相关参数确定,同时对可能存在的新的二元准晶进行了预测。该方法为定性研究及寻找新型稀土金属基准晶合金开辟了一条新的途径,在材料研究领域具有理论指导意义。

The effect of atomic size factors and electron factors on the formation of quasicrystalline was studied. The formation of quasicrystalline has relationship with the atomic bonding factors based on differences in atom size and electron factor. The formation of the 13 rare earth metals（La, Ce, Pr, Nd, Sin, Eu, C,d, Tb, Dy, Ho, Er, Yb, Lu） based quasicrystals was studied by the bond-parametric method. It is found that the quassicrystalline can be separated by an ellipse（x-m）^2/c^2＋（y-n）^2/d^2=1, and the parameters m, u, c and d were discussed. It is found that the parameters are proportional to the suitable parameters of each based metal. The reliabilities of this models are up to 92.73%. Many possible new binary quasicrystals are predicted also. The method presented can be viewed as a semi-empirical criterion to study and find new quasicrystalline materials. So it possesses great significance for the theoretical guidance in quasicrystalline material research field.