Strain-induced insulator–metal transition in ferroelectric BaTiO<sub>3</sub> (001) surface: First-principles study

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 Min^{1, †,}, Liu Jun-Ming^{1, 2}

(a) Total and partial density of states of (b) Ba 5p, (c) Ti 3d, and (d) O 2p orbitals on the BTO (001) surface at ε = −0.0475.