通过第一性原理计算,研究了在不同应力作用下铁电超晶格BaTiO3/SrTiO3的结构以及自发极化的变化.结果显示,在应力作用下,晶格发生变形,并且沿着c轴在Ti原子和O原子之间电荷发生传输.随着应力的增加,超晶格中各类原子沿着c轴的位移都会有不同程度上的增加,造成了铁电超晶格的自发极化不断提高.此外,在该模型中,通过变化所施加的应力,可以控制超晶格的极化性质. The structure and spontaneous polarization of BaTiO3 / SrTiO3 ferroelectric superlattice under different stresses were studied by first-principles calculations. The results show that the lattice deforms under the action of stress, The transport of charges between the Ti atom and the O atom occurs.With the increase of the stress, the displacement of all kinds of atoms in the superlattice along the c-axis will increase to some extent, causing the spontaneous polarization of the ferroelectric superlattice In addition, in this model, the polarization properties of the superlattice can be controlled by varying the applied stress.