title: Structural, Electronic, and Optical Properties of K2Sn3O7with an Offset Hollandite Structure.
abstract: We present the compound K2Sn3O7, a Sn4+-containing oxide with a unique structure type among oxides. The compound is orthorhombic and reminiscent of an offset hollandite, where open channels hold a row of four K+per channel per cell. UV-visible spectroscopy indicates a wide band gap semiconductor, which is confirmed by first-principles electronic-structure calculations of band structures, densities of states, and optical properties. The continued discovery of new structure types in ternary tin oxides should remain a priority for the identification of prospective ion conductors and transparent conducting compounds.
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Rebecca D
authors.initials: RD
authors.lastname: McAuliffe
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Christopher A
authors.initials: CA
authors.lastname: Miller
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Xiao
authors.initials: X
authors.lastname: Zhang
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Benjamin S
authors.initials: BS
authors.lastname: Hulbert
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Ashfia
authors.initials: A
authors.lastname: Huq
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Clarina
authors.initials: C
authors.lastname: Dela Cruz
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: André
authors.identifier: http://orcid.org/0000-0003-0496-8214
authors.initials: A
authors.lastname: Schleife
authors.affiliation: Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.|Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
authors.forename: Daniel P
authors.identifier: http://orcid.org/0000-0003-3650-7551
authors.initials: DP
authors.lastname: Shoemaker