title: A New Line Defect in NdTiO3Perovskite.
abstract: Perovskite oxides form an eclectic class of materials owing to their structural flexibility in accommodating cations of different sizes and valences. They host well-known point and planar defects, but so far no line defect has been identified other than dislocations. Using analytical scanning transmission electron microscopy (STEM) and ab initio calculations, we have detected and characterized the atomic and electronic structures of a novel line defect in NdTiO3perovskite. It appears in STEM images as a perovskite cell rotated by 45°. It consists of self-organized Ti-O vacancy lines replaced by Nd columns surrounding a central Ti-O octahedral chain containing Ti4+ions, as opposed to Ti3+in the host. The distinct Ti valence in this line defect introduces the possibility of engineering exotic conducting properties in a single preferred direction and tailoring novel desirable functionalities in this Mott insulator.
authors.affiliation: Department of Chemical Engineering and Materials Science, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Jong Seok
authors.initials: JS
authors.lastname: Jeong
authors.affiliation: Department of Chemical Engineering and Materials Science, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Mehmet
authors.initials: M
authors.lastname: Topsakal
authors.affiliation: Department of Chemical Engineering and Materials Science, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Peng
authors.initials: P
authors.lastname: Xu
authors.affiliation: Department of Chemical Engineering and Materials Science, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Bharat
authors.initials: B
authors.lastname: Jalan
authors.affiliation: Department of Chemical Engineering and Materials Science, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Renata M
authors.initials: RM
authors.lastname: Wentzcovitch
authors.affiliation: Department of Chemical Engineering and Materials Science, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: K Andre
authors.initials: KA
authors.lastname: Mkhoyan
keywords: DFT; EELS; Line defect; NdTiO3; STEM; perovskite