中文摘要：

在第一性原理框架理论下应用KKR-CPA- LDA方法计算了Zn0.9O1-xCo0.1体系（x=0～10%）下的电子结构、磁矩分布和3种不同的状态下的能量。结果表明：（1）在不同的氧空位缺陷的条件下,材料都显示半金属特性;（2）随着氧空位缺陷的增加,掺杂体系的能量逐渐升高,稳定性逐渐变弱,说明了基态条件下,Zn0.9O1-xCo0.1掺杂体系中的氧空位缺陷是不容易形成的,这个和文献报道的是一致的;（3）根据计算结果可以推断,在Zn0.9O1-xCo0.1体系中,磁性原子的磁矩随着氧空位缺陷的增加,体系的饱和磁化强度降低,符合双交换理论。

英文摘要：

Based on first-principle theoretical framework, a KKR-CPA-LDA calculated Zn0.9 O1-xCo0.1 system （x =0-10%） and the electronic structure and magnetic moment distribution are calculated. The results show that （1） in all the concentration of oxygen defects,all the systems show semi metal character; （2）with the increase of the concentration of oxygen defects, the stability of doping system becomes weaker gradually, which proves the oxygen vacancy＇s formation is not easy in the ground-state condition and this is in line with the reference reported before; （3）based on the double exchange theory, the value of magnetic moment becomes larger with the increasing oxygen defects,which is consistent with our results.