Strain-induced insulator–metal transition in ferroelectric BaTiO3 (001) surface: First-principles study
Yang Lin1, Wang Chang-An1, Liu Cong1, Qin Ming-Hui1, Lu Xu-Bing1, Gao Xing-Sen1, Zeng Min1, †, , Liu Jun-Ming1, 2
       

The charge density contribution along [100] direction calculated for TiO2-terminated BTO (001) surface and projected on the y–z plane for two cases: ε = −0.0475 (a), and ε = 0 (b). Dipole directions within each layer are labeled by the arrows. The contour set size is 0.01 e/Å2.