title: First-principles study of interface doping in ferroelectric junctions.
abstract: Effect of atomic monolayer insertion on the performance of ferroelectric tunneling junction is investigated in SrRuO3/BaTiO3/SrRuO3 heterostrucutures. Based on first-principles calculations, the atomic displacement, orbital occupancy, and ferroelectric polarization are studied. It is found that the ferroelectricity is enhanced when a (AlO2)(-) monolayer is inserted between the electrode SRO and the barrier BTO, where the relatively high mobility of doped holes effectively screen ferroelectric polarization. On the other hand, for the case of (LaO)(+) inserted layer, the doped electrons resides at the both sides of middle ferroelectric barrier, making the ferroelectricity unfavorable. Our findings provide an alternative avenue to improve the performance of ferroelectric tunneling junctions.
authors.affiliation: School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009, China.|Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, China.
authors.forename: Pin-Zhi
authors.initials: PZ
authors.lastname: Wang
authors.affiliation: Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, China.
authors.forename: Tian-Yi
authors.initials: TY
authors.lastname: Cai
authors.affiliation: Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, China.
authors.forename: Sheng
authors.initials: S
authors.lastname: Ju
authors.affiliation: School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009, China.
authors.forename: Yin-Zhong
authors.initials: YZ
authors.lastname: Wu