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  • 1
    Electronic Resource
    Electronic Resource
    Neutron diffraction study on the defect structure of indium–tin–oxide (2001)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 89 (2001), S. 2550-2555 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The defect structure of undoped and Sn-doped In2O3 (ITO) materials was studied by preparing powders under different processing environments and performing neutron powder diffraction. The effect of tin doping and oxygen partial pressure was determined. Structural information was obtained by analyzing neutron powder diffraction data using the Rietveld method. The results include positions of the atoms, their thermal displacements, the fractional occupancy of the interstitial oxygen site, and the fractional occupancies of Sn on each of the two nonequivalent cation sites. The tin cations show a strong preference for the b site versus the d site. The measured electrical properties are correlated with the interstitial oxygen populations, which agree with the proposed models for reducible (2SnIn•Oi″)x and nonreducible (2SnIn•3OOOi″)x defect clusters. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1341209
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  • 2
    Electronic Resource
    Electronic Resource
    Subsolidus Phase Relations and Transparent Conductors in the Cadmium-Indium-Tin Oxide System (2002)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 85 (2002), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Subsolidus phase relations have been determined in the CdO–InO1.5–SnO2 system at 1175°C. A cubic-bixbyite solution In2−2x(Cd,Sn)2xO3 (0 〈 x 〈 0.34), a cubic spinel solution (1−x)CdIn2O4–xCd2SnO4 (0 〈 x 〈 0.75), and an orthorhombic-perovskite solution Cd1−xSn1−xIn2xO3 (0 〈 x 〈 0.045) having the GdFeO3 structure have been discovered. The CdO phase field exists over a small range of InO1.5 (〈3%) and SnO2 (〈1%). Orthorhombic Cd2SnO4 (Sr2PbO4 structure) and rutile SnO2 appear to be point compounds with negligible solubility. The vertical section between spinel CdIn2O4 and orthorhombic Cd2SnO4 was determined between 900° and 1175°C. The spinel phase field (1−x)CdIn2O4–xCd2SnO4 was found to extend between x= 0 and x= 0.75 at 1175°C or x= 0.78 at 900°C. All of the phases in this system appear to allow small excess quantities of the donors In and/or Sn (vs cation stoichiometry) which may be the source of the electrons that give these oxides their n-type character. The electrical and optical properties of bulk and thin-film specimens in this system are compared and contrasted with each other and the relative merits of each are assessed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2002.tb00458.x
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  • 3
    Electronic Resource
    Electronic Resource
    Defects and Charge Transport near the Hematite (0001) Surface: An Atomistic Study of Oxygen Vacancies (2002)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 85 (2002), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Atomistic calculations were performed on a slab model of the (0001) surface of hematite as well as the bulk structure. In particular, the energetics of oxygen vacancies near the surface was studied. Atomistic modeling was used to establish the defect energies in the bulk versus distance from the surface. Transition state calculations were performed to compute barriers for several pathways of migration of oxygen vacancies in the bulk and at varying depths relative to the surface. We find energy barriers of several transitions considerably lowered closer to the surface. Considerations of literature data for electrical conductivity and Seebeck coefficient on bulk versus thin-film hematite suggest high populations of point defects near surfaces, in agreement with our predictions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2002.tb00068.x
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  • 4
    Electronic Resource
    Electronic Resource
    Single grain boundary characterization of Nb-doped SrTiO3 bicrystals using ac four-point impedance spectroscopy (2000)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 76 (2000), S. 2621-2623 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: AC four-point impedance spectroscopy has been applied to Nb-doped SrTiO3 bicrystals. Due to the simplified geometry and highly conductive bulk of the bicrystal, the reference impedance of the electrode was significantly reduced, validating the applicability of ac four-point impedance spectroscopy for electroceramics. DC current–voltage characteristics without any interference due to electrodes confirmed these ac measurements. Using ac four-point impedance spectroscopy, grain boundary contributions are isolated and the corresponding grain boundary thickness and resistivity are estimated. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.126428
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  • 5
    Electronic Resource
    Electronic Resource
    Crystal Chemistry of Ln'Ln''Ba2Cu2Ti2O11 (Ln = Lanthanide, Y) Materials (1995)
    s.l. : American Chemical Society
    Chemistry of materials 7 (1995), S. 1355-1360 
    Details
    ISSN: 1520-5002
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/cm00055a013
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  • 6
    Electronic Resource
    Electronic Resource
    Defect Structures of Tin-Doped Indium Oxide (2003)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 86 (2003), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Defect structures associated with tin doping of indium oxide, an optically transparent conductor, have been characterized by atomistic simulations and first-principles density functional calculations. A comprehensive survey of defect clusters containing up to three tin dopants in the first and second cationic coordination shells of an oxygen interstitial has been conducted. The analysis of energetically favorable defects gives insights into the role and nature of defect clusters in the material. In particular, the origins of the experimentally postulated b-site preference of tin dopants have been examined. Our results show that b-site preference occurs only in defect clusters with oxygen interstitials and is not intrinsic to dopants. In contrast, in nearest coordination to an interstitial, a strong d-site preference is found. Density functional calculations in the discrete variational-embedded cluster approximation have been conducted on selected defect structures to illuminate the effect of clustering on partial atomic charges, bond-orders, and 119Sn Mössbauer parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2003.tb03543.x
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  • 7
    Electronic Resource
    Electronic Resource
    Defect Cluster Aggregation and Nonreducibility in Tin-Doped Indium Oxide (2003)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 86 (2003), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The conductivity of tin-doped indium oxide (ITO), a transparent conductor, is critically dependent on the amount of tin doping and oxygen partial pressure during preparation and annealing. Frank and Köstlin (Appl. Phys. A, 27, 197–206 (1982)) have rationalized the observed carrier concentration dependence by postulating the formation of two types of neutral defect clusters at medium tin-doping levels: “reducible” and “nonreducible” defect clusters, so named to indicate their ability to create carriers under reduction. According to Frank and Köstlin, both clusters are composed of one oxygen interstitial and two tin atoms substituting for indium, positioned in nonnearest and nearest coordination, respectively. This work, seeking to distinguish reducible and nonreducible clusters by means of an atomistic model, finds only a weak correlation of oxygen interstitial binding energies with the relative positioning of tin dopants. Instead, the number of tin dopants in the vicinity of the interstitial has a much larger effect on how strongly it is bound, a simple consequence of Coulomb interactions. We postulate that oxygen interstitials become nonreducible when clustered with three or more SnIn. This occurs at higher doping levels as reducible clusters aggregate and share tin atoms. A simple probabilistic model, estimating the average number of clusters so aggregated, yields a qualitatively correct description of the carrier density in reduced ITO as a function of tin-doping level.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2003.tb03544.x
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  • 8
    Electronic Resource
    Electronic Resource
    Effect of the Interfacial Transition Zone on the Conductivity of Portland Cement Mortars (2000)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 83 (2000), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The electrical conductivity of portland cement mortars was determined experimentally as a function of the volume fraction of sand and the degree of hydration. The results were analyzed using theoretical models that represent the mortars as three-phase, interactive composites. The three phases are the matrix paste, the aggregate, and the thin interfacial transition zone between the two. The microstructure and properties of the conductive phases (the transition zone and the matrix paste) were determined by a micrometer-scale microstructural model, and were used in conjunction with random-walk algorithms and differential-effective medium theory to determine the overall mortar conductivities. The presence of the transition zone was not found to significantly affect the global electrical conductivity of the mortar. However, there were significant differences in conductivity between the transition zone and matrix pastes when examined on a local level. These differences were found to vary with hydration and were most significant when the degree of hydration was between 0.5 and 0.8.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2000.tb01344.x
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  • 9
    Electronic Resource
    Electronic Resource
    Electrical and Optical Properties of Transparent Conducting Homologous Compounds in the Indium–Gallium–Zinc Oxide System (1999)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 82 (1999), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The homologous compounds In1−xGa1+xO3(ZnO)k (where k= 1, 2, or 3) were prepared at a temperature of 1400°C. The solubility limits (as determined via X-ray diffractometry) were 0.47 〈 [In]/([In] + [Ga]) 〈 0.67 for the k= 1 member, 0.35 〈 [In]/([In]+[Ga]) 〈 0.77 for the k= 2 member, and 0.29 〈 [In]/([In]+[Ga]) 〈 1.00 for the k= 3 member. Four-point-conductivity and diffuse-reflectance measurements were performed on as-fired and reduced samples. The band gap that was determined from diffuse reflectance increased as the Ga3+ content increased and k decreased. The conductivity increased as k decreased and the In3+ content increased. A maximum conductivity of 250 S/cm was obtained for k= 3 and [In]/([In]+[Ga]) = 1 after reduction. The minimum absorption edge of 325 nm was obtained for k= 2 and [In]/([In]+[Ga]) = 0.35 prior to reduction. The potential for metastable phases in the In-Ga-Zn-O system with enhanced transparent-conducting properties has been discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.1999.tb02145.x
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  • 10
    Electronic Resource
    Electronic Resource
    Phase Relationships and Physical Properties of Homologous Compounds in the Zinc Oxide-Indium Oxide System (1998)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 81 (1998), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Equilibrium phase relationships in the ZnO-In2O3 system were determined between 1100° and 1400°C using solid-state reaction techniques and X-ray diffractometry. In addition to ZnO and In2O3, nine homologous compounds, ZnkIn2Ok+3 (where k= 3, 4, 5, 6, 7, 9, 11, 13, and 15), were observed. Electrical conductivity and diffuse reflectance of the k= 3, 4, 5, 7 and 11 members were measured before and after annealing at 400°C for 1 h under forming gas (4%2-96% N2). Room-temperature conductivity increased as k decreased, because of increased carrier concentration as well as increased mobility. In general, transparency in the wavelength range of 450-900 nm increased as k increased. Reduction in forming gas resulted in increased conductivity and reduced transparency for all compounds measured. The highest room-temperature conductivity measured, 270 S/cm, was that of reduced Zn3In2O6.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.1998.tb02483.x
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