title: Atomic-scale imaging of cation ordering in inverse spinel Zn2SnO4 nanowires.
abstract: By using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) coupled with density functional theory (DFT) calculations, we demonstrate the atomic-level imaging of cation ordering in inverse spinel Zn2SnO4 nanowires. This cation ordering was identified as 1:1 ordering of Zn(2+) and Sn(4+) at the octahedral sites of the inverse spinel crystal with microscopic symmetry transition from original cubic Fd3̅m to orthorhombic Imma group. This ordering generated a 67.8% increase in the elastic modulus and 1-2 order of magnitude lower in the electric conductivity and electron mobility compared to their bulk counterpart.
authors.affiliation: Department of Mechanical Engineering, University of South Carolina , Columbia, South Carolina 29208, United States.
authors.forename: Lihong
authors.initials: L
authors.lastname: Bao
authors.forename: Jianfeng
authors.initials: J
authors.lastname: Zang
authors.forename: Guofeng
authors.initials: G
authors.lastname: Wang
authors.forename: Xiaodong
authors.initials: X
authors.lastname: Li
keywords: Cation ordering; density functional theory (DFT) calculations; inverse spinel; scanning transmission electron microscopy (STEM)