Density functional theory within the local density approximation is used to investigate the effect of the oxygen vacancy on the LaGaO₃/SrTiO₃（001） heterojunction. It is found that the energy favorable configuration is the oxygen vacancy located at the 3^rd layer of the STO substrate, and the antiferrodistortive distortion is induced by the oxygen vacancy introduced on the SrTiO₃ side. Compared with the heterojunction without introducing oxygen vacancy, ... 

【文章來源】：Chinese Physics B. 2017,26(03)

【文章頁數(shù)】：5 頁


本文編號：3029299