Journal
CHEMISTRY OF MATERIALS
Volume 25, Issue 15, Pages 3114-3123Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cm401343a
Keywords
SnO; doping; transparent semiconducting oxides; electronic structure
Funding
- Integrated Electronics Engineering Center (IEEC) at the State University of New York at Binghamton
- New York State Foundation for Science, Technology, and Innovation (NYSTAR)
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DEAC02-98CH10886]
- National Institute of Standards and Technology
- Faculty/Student Research Support Program at the NSLS
- Analytical and Diagnostics Laboratory Small Grant program at Binghamton University
- EPSRC [EP/F067496]
- Ramsay Memorial Trust
- University College London for the provision of a Ramsay Fellowship
- Department of Energy [DE-FG02-98ER45680]
- EPSRC [EP/F067496/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/F067496/1] Funding Source: researchfish
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The origin of the almost unique combination of optical transparency and the ability to bipolar dope tin monoxide is explained using a combination of soft and hard Xray photoemission spectroscopy, O K-edge X-ray emission and absorption spectroscopy, and density functional theory calculations incorporating van der Waals corrections. We reveal that the origin of the high hole mobility, bipolar ability, and transparency is a result of (i) significant Sn 5s character at the valence band maximum (due to O 2p-Sn Ss antibonding character associated with the lone pair distortion), (ii) the combination of a small indirect band gap of similar to 0.7 eV (Gamma-M) and a much larger direct band gap of 2.6-2.7 eV, and (iii) the location of both band edges with respect to the vacuum level. This work supports Sn2+-based oxides as a paradigm for next-generation transparent semiconducting oxides.
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