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Title: Recent Advances in Understanding the Structure and Properties of Amorphous Oxide Semiconductors

Here, amorphous oxide semiconductors (AOSs)—ternary or quaternary oxides of post-transition metals such as In-Sn-O, Zn-Sn-O, or In-Ga-Zn-O—have been known for a decade and have attracted a great deal of attention as they pos-sess several technological advantages, including low-temperature large-area deposition, mechanical flexibility, smooth surfaces, and high carrier mobility that is an order of magnitude larger than that of amorphous silicon (a-Si:H). Compared to their crystalline counterparts, the structure of AOSs is extremely sensitive to deposition conditions, stoichiometry, and composition, giving rise to a wide range of tunable optical and electrical properties. The large parameter space and the resulting complex deposition–structure–property relationships in AOSs make the currently available theoretical and experimental research data rather scattered and the design of new materials difficult. In this work, the key properties of several In-based AOSs are studied as a function of cooling rates, oxygen stoichiometry, cation composition, or lattice strain. Based on a thor-ough comparison of the results of ab initio mode ling, comprehensive structural analysis, accurate property calculations, and systematic experimental measure-ments, a four-dimensional parameter space for AOSs is derived, serving as a solid foundation for property optimization in known AOSs and for design of next-generation transparent amorphous semiconductors.
Authors:
 [1] ;  [2] ;  [2]
  1. Missouri Univ. of Science and Technology, Rolla, MO (United States)
  2. Northwestern Univ., Evanston, IL (United States)
Publication Date:
Type:
Accepted Manuscript
Journal Name:
Advanced Electronic Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 9; Journal ID: ISSN 2199-160X
Publisher:
Wiley
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ab-initio molecular dynamics simulations; amorphous oxide semiconductors; electronic properties; local and medium-range structure; transparent conducting oxides
OSTI Identifier:
1461630

Medvedeva, Julia E., Buchholz, D. Bruce, and Chang, Robert P. H.. Recent Advances in Understanding the Structure and Properties of Amorphous Oxide Semiconductors. United States: N. p., Web. doi:10.1002/aelm.201700082.
Medvedeva, Julia E., Buchholz, D. Bruce, & Chang, Robert P. H.. Recent Advances in Understanding the Structure and Properties of Amorphous Oxide Semiconductors. United States. doi:10.1002/aelm.201700082.
Medvedeva, Julia E., Buchholz, D. Bruce, and Chang, Robert P. H.. 2017. "Recent Advances in Understanding the Structure and Properties of Amorphous Oxide Semiconductors". United States. doi:10.1002/aelm.201700082. https://www.osti.gov/servlets/purl/1461630.
@article{osti_1461630,
title = {Recent Advances in Understanding the Structure and Properties of Amorphous Oxide Semiconductors},
author = {Medvedeva, Julia E. and Buchholz, D. Bruce and Chang, Robert P. H.},
abstractNote = {Here, amorphous oxide semiconductors (AOSs)—ternary or quaternary oxides of post-transition metals such as In-Sn-O, Zn-Sn-O, or In-Ga-Zn-O—have been known for a decade and have attracted a great deal of attention as they pos-sess several technological advantages, including low-temperature large-area deposition, mechanical flexibility, smooth surfaces, and high carrier mobility that is an order of magnitude larger than that of amorphous silicon (a-Si:H). Compared to their crystalline counterparts, the structure of AOSs is extremely sensitive to deposition conditions, stoichiometry, and composition, giving rise to a wide range of tunable optical and electrical properties. The large parameter space and the resulting complex deposition–structure–property relationships in AOSs make the currently available theoretical and experimental research data rather scattered and the design of new materials difficult. In this work, the key properties of several In-based AOSs are studied as a function of cooling rates, oxygen stoichiometry, cation composition, or lattice strain. Based on a thor-ough comparison of the results of ab initio mode ling, comprehensive structural analysis, accurate property calculations, and systematic experimental measure-ments, a four-dimensional parameter space for AOSs is derived, serving as a solid foundation for property optimization in known AOSs and for design of next-generation transparent amorphous semiconductors.},
doi = {10.1002/aelm.201700082},
journal = {Advanced Electronic Materials},
number = 9,
volume = 3,
place = {United States},
year = {2017},
month = {8}
}

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