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

González, Gabriela B.; Cohen, J. B.; Hwang, Jin Ha; Mason, Thomas O.; Hodges, J. P.; Jorgensen, J. D.

doi:10.1063/1.1341209

Cited by 146 publications

(95 citation statements)

References 19 publications

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“…At the highest Sn doping levels there is evidence [98][99][100][101] for further aggregation of Sn ions and interstitials to give so called "non-reducible" clusters. The 6-coordinate ionic radius of Sn 4+ in the Shannon and Prewitt tabulation [102] has a value of 0.83 Å, which is 0.11 Å smaller than the value of 0.94 Å for In 3+ .…”

Section: Bulk N-type Doing: Chemical Aspectsmentioning

confidence: 98%

Dopant and Defect Induced Electronic States at In2O3 Surfaces

Egdell

2015

Defects at Oxide Surfaces

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This article reviews the impact of defects and doping on the surface electronic structure of indium oxide, a wide gap oxide semiconductor which under degenerate doping becomes an important transparent conducting material. Topics covered include recent evidence for carrier accumulation at In 2 O 3 surfaces when there is a low bulk doping level and the profound effects of doping on core and valence photoemission spectra. The importance of molecular beam epitaxy in growth of single crystal samples is emphasised. IntroductionTransparent conducting oxides (TCOs) combine the usually orthogonal properties of optical transparency in the visible region with a high electrical conductivity [1][2][3][4]. TCOs already find widespread application as the window electrode in display devices including liquid crystal displays and electroluminescent display devices. A TCO electrode is also an essential component in many designs of solar cell [5,6]. In addition there is a growing interest in "transparent electronics" where TCO materials are employed in a more active role, for example in light emitting diodes [7] or lasers operating in the ultraviolet regime. The TCO market is worth around $1.6 billion per annum, with upward of 80 % of this sum based on LCD displays. Indium oxide (In 2 O 3 ) is amenable to n-type doping with Sn to give a prototype TCO usually-but somewhat misleadingly-referred to as indium tin oxide or ITO. At present ITO dominates the TCO market as the material offers a better combination of conductivity and transparency than alternatives such as doped ZnO or SnO 2 . In principle, doped CdO could achieve better performance [8], but Cd is highly toxic. Despite some recent reports of respiratory disease and even deaths [9] among workers in the ITO industry, indium is generally regarded as relatively

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Section: Bulk N-type Doing: Chemical Aspectsmentioning

confidence: 98%

Dopant and Defect Induced Electronic States at In2O3 Surfaces

Egdell

2015

Defects at Oxide Surfaces

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“…It is known that high oxygen pressure can significantly reduce the conductivity of doped oxides due to the formation of neutral complexes between the ionized dopants and the interstitial oxygen atoms [56,73,74]. Indeed, it was shown [61] that interstitial oxygen in Mo-doped In 2 O 3 may significantly affect the electronic, magnetic and optical properties of the material.…”

Section: V4 Charge Compensation With Interstitial Oxygenmentioning

confidence: 99%

Tuning the properties of complex transparent conducting oxides: Role of crystal symmetry, chemical composition, and carrier generation

2010

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The electronic properties of single-and multi-cation transparent conducting oxides (TCOs) are investigated using first-principles density functional approach. A detailed comparison of the electronic band structure of stoichiometric and oxygen deficient In2O3, α-and β-Ga2O3, rock salt and wurtzite ZnO, and layered InGaZnO4 reveals the role of the following factors which govern the transport and optical properties of these TCO materials: (i) the crystal symmetry of the oxides, including both the oxygen coordination and the long-range structural anisotropy; (ii) the electronic configuration of the cation(s), specifically, the type of orbital(s) -s, p or d -which form the conduction band; and (iii) the strength of the hybridization between the cation's states and the p-states of the neighboring oxygen atoms. The results not only explain the experimentally observed trends in the electrical conductivity in the single-cation TCO, but also demonstrate that multicomponent oxides may offer a way to overcome the electron localization bottleneck which limits the charge transport in widebandgap main-group metal oxides. Further, the advantages of aliovalent substitutional doping -an alternative route to generate carriers in a TCO host -are outlined based on the electronic band structure calculations of Sn, Ga, Ti and Zr-doped InGaZnO4. We show that the transition metal dopants offer a possibility to improve conductivity without compromising the optical transmittance.

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“…[12,30] Note, however, that the FIB ions are singly charged Ga þ , and could potentially introduce greater complexity in the doping mechanism compared to that of previously studied Ga-doped In 2 O 3 systems.…”

Section: à3mentioning

confidence: 94%

“…Thus, it is evident that Ga doping imbues In 2 O 3 with electrical properties suitable for device applications. The doping mechanism is most likely increased oxygen vacancy concentration, [30] since Ga and In are isovalent and thus donor-or acceptor-type doping is not expected. The increased conductance of the patterns produced here is likely due to a locally increased carrier concentration created by oxygen vacancies, Figure 2.…”

Section: à3mentioning

confidence: 99%