By using the ultra-soft pseudo-potential approach of the plane wave based on the density-functional theory, the electronic structures and optical properties of perfect cubic Zirconia and MgO-doped cubic Zirconia at 70 GPa are studied. The results indicate that the band gap decreases slightly due to the MgO doping, which causes a small red-shift of the absorption edge. However, at 70 GPa the optical absorption of cubic ZrO2 in the visible-light region is not influenced by the MgOdoping (absorption coefficient are still zero). Pure cubic ZrO2 and MgOdoped cubic ZrO2 at 70 GPa remain transparent in the visible-light region. Meanwhile, due to the MgO doping, the intensity of a main peak of reflectivity spec-trums at～120 nm decreases certainly, and a main peak of loss-function spectrums at～120 nm moves towards long-wavelength region and its intensity declines evidently.%采用基于密度泛函理论框架下的平面波超软赝势方法,分别计算了70 GPa压力下立方氧化锆理想晶体以及在其中掺入MgO时的电子结构和光学性质.计算结果表明,掺入MgO使得立方氧化锆禁带宽度稍微减小,从而导致其吸收边发生微小红移,但不影响立方氧化锆在可见光范围内的高压光吸收性(吸收系数仍为零).70 GPa压力下,立方氧化锆理想晶体和在其中掺入MgO时均在可见光区保持透明.同时,在立方氧化锆中掺入MgO使得大约120 nm处的反射谱主峰峰值强度有所降低,以及约120 nm处的能量损失谱主峰向长波方向移动,峰值强度有明显地降低.
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