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Title: Probing the Unique Role of Gallium in Amorphous Oxide Semiconductors through Structure–Property Relationships

Journal Article · · Advanced Electronic Materials
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  1. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering. Materials Research Center
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Northwestern Synchrotron Research Center at the Advanced Photon Source. DND‐CAT
  3. Missouri Univ. of Science and Technology, Rolla, MO (United States). Physics Dept.
  4. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering. Materials Research Center. Dept. of Chemistry
  5. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering. Materials Research Center. Dept. of Physics and Astronomy

Abstract This study explores the unique role of Ga in amorphous (a‐) InGaO oxide semiconductors through combined theory and experiment. It reveals substitutional effects that have not previously been attributed to Ga, and that are investigated by examining how Ga influences structure–property relationships in a series of pulsed laser deposited a‐InGaO thin films. Element‐specific structural studies (X‐ray absorption and anomalous scattering) show good agreement with the results of ab initio molecular dynamics simulations. This structural knowledge is used to understand the results of air‐annealing and Hall effect electrical measurements. The crystallization temperature of a‐IO is shown to increase by as much as 325 °C on substituting Ga for In. This increased thermal stability is understood on the basis of the large changes in local structure that Ga undergoes, as compared to In, during crystallization. Hall measurements reveal an initial sharp drop in both carrier concentration and mobility with increasing Ga incorporation, which moderates at >20 at% Ga content. This decline in both the carrier concentration and mobility with increasing Ga is attributed to dilution of the charge‐carrying InO matrix and to increased structural disorder. The latter effect saturates at high at% Ga.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-06CH11357; DE‐AC02‐06CH11357
OSTI ID:
1406633
Alternate ID(s):
OSTI ID: 1378111
Journal Information:
Advanced Electronic Materials, Vol. 3, Issue 10; ISSN 2199-160X
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
ENGLISH
Citation Metrics:
Cited by: 25 works
Citation information provided by
Web of Science

References (73)

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
Generalized Gradient Approximation Made Simple journal October 1996
Recurring polyhedral motifs in the amorphous indium gallium zinc oxide network: Polyhedral motifs in indium gallium zinc oxide network journal February 2017
Investigation of carrier transport behavior in amorphous indium–gallium–zinc oxide thin film transistors journal August 2015
Phase Equilibria in the Ga2O3In2O3 System journal January 1997
A new route to charge distributions in ionic solids journal December 1989
New developments in gallium doped zinc oxide deposited on polymeric substrates by RF magnetron sputtering journal March 2004
Stable and High-Performance Indium Oxide Thin-Film Transistor by Ga Doping journal March 2016
Multi-scale order in amorphous transparent oxide thin films journal September 2012
Projector augmented-wave method journal December 1994
Hybrid functionals based on a screened Coulomb potential journal May 2003
The Principles Determining the Structure of Complex Ionic Crystals journal April 1929
Model for determination of mid-gap states in amorphous metal oxides from thin film transistors journal June 2013
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional journal November 2005
Room-temperature fabrication of transparent flexible thin-film transistors using amorphous oxide semiconductors journal November 2004
The effects of gallium on solution-derived indium oxide-based thin film transistors manufactured on display glass journal January 2015
Effect of Ga∕In ratio on the optical and electrical properties of GaInZnO thin films grown on SiO2∕Si substrates journal August 2007
Carrier transport and electronic structure in amorphous oxide semiconductor, a-InGaZnO4 journal August 2005
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Charge transport in amorphous InGaZnO thin-film transistors journal October 2012
Conduction mechanism in amorphous InGaZnO thin film transistors journal December 2015
Refinement of the crystal structure of In 2 O 3 at two wavelengths journal November 1966
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
Molecular dynamics study of amorphous Ga-doped In 2 O 3 : A promising material for phase change memory devices journal August 2013
Ionic amorphous oxide semiconductors: Material design, carrier transport, and device application journal June 2006
High Mobility a-IGO Films Produced at Room Temperature and Their Application in TFTs journal January 2010
Role of order and disorder on the electronic performances of oxide semiconductor thin film transistors journal February 2007
Two-component solution processing of oxide semiconductors for thin-film transistors via self-combustion reaction journal January 2014
Role of Gallium Doping in Dramatically Lowering Amorphous-Oxide Processing Temperatures for Solution-Derived Indium Zinc Oxide Thin-Film Transistors journal December 2009
Thermal stability of amorphous Zn-In-Sn-O films journal September 2014
An amorphous oxide semiconductor thin-film transistor route to oxide electronics journal April 2014
Ab initiomolecular dynamics for liquid metals journal January 1993
Present status of amorphous In–Ga–Zn–O thin-film transistors journal February 2010
Working hypothesis to explore novel wide band gap electrically conducting amorphous oxides and examples journal May 1996
Improvement of the positive bias stability of a-IGZO TFTs by the HCN treatment journal December 2016
Role of dopants as a carrier suppressor and strong oxygen binder in amorphous indium-oxide-based field effect transistor journal August 2014
Oxide Semiconductor Thin-Film Transistors: A Review of Recent Advances journal May 2012
Long-range structural correlations in amorphous ternary In-based oxides journal April 2015
Origin of definite Hall voltage and positive slope in mobility-donor density relation in disordered oxide semiconductors journal March 2010
Crystal Structure of β‐Ga 2 O 3 journal September 1960
Interplay between hopping and band transport in high-mobility disordered semiconductors at large carrier concentrations: The case of the amorphous oxide InGaZnO journal May 2016
A chemically driven insulator–metal transition in non-stoichiometric and amorphous gallium oxide journal April 2008
Structural relaxation in amorphous oxide semiconductor, a-In-Ga-Zn-O journal April 2012
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Amorphous transparent conductive oxide InGaO 3 (ZnO) m (m≤ 4): a Zn4s conductor journal May 2001
Evidence for Tetrahedral Zinc in Amorphous In2-2xZnxSnxO3 (a-ZITO) journal June 2011
The electrical, optical and structural properties of In x Zn 1− x O y (0  x  1) thin films by combinatorial techniques journal December 2004
Optical and electrical properties of doped In2O3 films journal May 1975
New analytical scattering-factor functions for free atoms and ions journal May 1995
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] journal February 1997
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Quasi-reversible point defect relaxation in amorphous In-Ga-Zn-O thin films by in situ electrical measurements journal March 2013
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Thin-film transistors with amorphous indium gallium oxide channel layers
  • Chiang, H. Q.; Hong, D.; Hung, C. M.
  • Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 24, Issue 6 https://doi.org/10.1116/1.2366569
journal January 2006
A structural study of amorphous In2O3–ZnO films by grazing incidence X-ray scattering (GIXS) with synchrotron radiation journal July 2008
The Structure and Properties of Amorphous Indium Oxide journal September 2014
Cation Size Effects on the Electronic and Structural Properties of Solution-Processed In-X-O Thin Films journal June 2015
Application of Differential Anomalous X-Ray Scattering to Structural Studies of Amorphous Materials journal June 1981
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Influence of the deposition pressure on the properties of transparent and conductive ZnO:Ga thin-film produced by r.f. sputtering at room temperature journal March 2003
Inhomogeneous Electron Gas journal November 1964
Structural and physical properties of transparent conducting, amorphous Zn-doped SnO 2 films journal January 2014
Metal oxides for optoelectronic applications journal March 2016
Structural and Electrical Properties of Solution-Processed Gallium-Doped Indium Oxide Thin-Film Transistors journal August 2011
Subgap states, doping and defect formation energies in amorphous oxide semiconductor a-InGaZnO4 studied by density functional theory journal May 2010
Identification of the native defect doping mechanism in amorphous indium zinc oxide thin films studied using ultra high pressure oxidation journal February 2013
Confirmation of the Dominant Defect Mechanism in Amorphous In-Zn-O Through the Application of In Situ Brouwer Analysis journal April 2015
Deep-ultraviolet transparent conductive β-Ga2O3 thin films journal December 2000
Composition-dependent structural and transport properties of amorphous transparent conducting oxides journal May 2015
Electronic structure of the amorphous oxide semiconductor a-InGaZnO4- x : Tauc-Lorentz optical model and origins of subgap states journal May 2009
Preparation and Crystallization of Tin-doped and Undoped Amorphous Indium Oxide Films Deposited by Sputtering journal September 1999
High field-effect mobility zinc oxide thin film transistors produced at room temperature journal June 2004
The Coordination Number– an“Inorganic Chameleon” journal January 1970

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