(Zr1-xMx)O2陶瓷的电导性能研究

本文利用量子化学理论方法研究了含有不同金属（Ｍ＝Ｙ，Ｍｇ和Ａｌ）掺杂的ＺｒＯ２陶瓷体系的电子能谱和不同原子的局域态密度，并结合实验分析探讨了掺杂下的电子导电和离子导电行为，研究表明，Ａｌ掺杂体系费米能级附近的能隙较小，因而其电子导电能力强；而Ａｌ与Ｏ的结合较强，使Ｏ空位形成能加大，表现出其离子导电性弱，而Ｙ掺杂与Ａｌ掺杂的情形相反，Ｙ掺杂导致了较强的离子导电性，但电子导电性较弱，Ｍｇ掺要的影响介于

A Study on Conductivity of (Zr1-xMx)O2 Ceramic

In the ZrO_2 ceramic systems doped with different oxides (Y_2O_3, MgO and Al_2O_3), the electronic energy spectroscopy and local density of states were calculated by a theoretical quantumchendcal method, and compared with the behaviors of electronic and ionic conduction. The resultsshowed that for the system doped with Al_2O_3, the energy gap near the Fermi energy level becomessmaller, so that the electronic couduction increases; the binding energy between Al and O atomincreases, which enhances the energy for vacancy migrating, the ionic conduction decreases. Onthe coutrary the systems doped with Y_2O_3 show a large ionic conduction, but a weaker electronicconduction. The effect of MgO is just between above two systems. The mentioned results agreewith that of references and experiments.