Interface Effect on Properties of Fe/BaTiO3/Fe Junction

  title={Interface Effect on Properties of Fe/BaTiO3/Fe Junction},
  author={Lei Deng and Dong Chen and Y. L. Zhu and Xiuliang Ma},
First principle calculations have been performed to study the interface structure effect on physical properties of the Fe/BaTiO3/Fe junction. It is identified that Fe on top of the TiO2- terminated plane with two Fe atoms adsorbed on the two O top sites is the most stable interface. The interface structure is found to affect the ferroelectric behavior of BaTiO3 layer. With BaO-terminated interface, BaTiO3 shows larger Ti-O distance compared with TiO2-teminated interface. In addition, there is a… CONTINUE READING