Neutron diffraction study on the defect structure of indium-tin-oxide

Gabriela B. González; Jerome B. Cohen; Jin Ha Hwang; Thomas O. Mason; Jason P. Hodges; James D. Jorgensen

doi:10.1063/1.1341209

Neutron diffraction study on the defect structure of indium-tin-oxide

Gabriela B. González, Jerome B. Cohen, Jin Ha Hwang, Thomas O. Mason^*, Jason P. Hodges, James D. Jorgensen

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

152 Scopus citations

Abstract

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 (2Sn^•_InO″_i)^x and nonreducible (2Sn^•_In3O_OO″_i) ^x defect clusters.

Original language	English (US)
Pages (from-to)	2550-2555
Number of pages	6
Journal	Journal of Applied Physics
Volume	89
Issue number	5
DOIs	https://doi.org/10.1063/1.1341209
State	Published - Mar 1 2001

ASJC Scopus subject areas

General Physics and Astronomy

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10.1063/1.1341209

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title = "Neutron diffraction study on the defect structure of indium-tin-oxide",

abstract = "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 (2Sn•InO″i)x and nonreducible (2Sn•In3OOO″i) x defect clusters.",

author = "Gonz{\'a}lez, {Gabriela B.} and Cohen, {Jerome B.} and Hwang, {Jin Ha} and Mason, {Thomas O.} and Hodges, {Jason P.} and Jorgensen, {James D.}",

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T1 - Neutron diffraction study on the defect structure of indium-tin-oxide

AU - González, Gabriela B.

AU - Cohen, Jerome B.

AU - Hwang, Jin Ha

AU - Mason, Thomas O.

AU - Hodges, Jason P.

AU - Jorgensen, James D.

PY - 2001/3/1

Y1 - 2001/3/1

N2 - 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 (2Sn•InO″i)x and nonreducible (2Sn•In3OOO″i) x defect clusters.

AB - 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 (2Sn•InO″i)x and nonreducible (2Sn•In3OOO″i) x defect clusters.

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Neutron diffraction study on the defect structure of indium-tin-oxide

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