Tunable Lattice Constant and Band Gap of Single- and Few-Layer ZnO
Abstract
Single and few-layer ZnO(0001) (ZnO(nL), n = 1–4) grown on Au(111) have been characterized via scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and density functional theory (DFT) calculations. We find that the in-plane lattice constants of the ZnO(nL, n ≤ 3) are expanded compared to that of the bulk wurtzite ZnO(0001). The lattice constant reaches a maximum expansion of 3% in the ZnO(2L) and decreases to the bulk wurtzite ZnO value in the ZnO(4L). The band gap decreases monotonically with increasing number of ZnO layers from 4.48 eV (ZnO(1L)) to 3.42 eV (ZnO(4L)). These results suggest that a transition from a planar to the bulk-like ZnO structure occurs around the thickness of ZnO(4L). Furthermore the work also demonstrates that the lattice constant and the band gap in ultrathin ZnO can be tuned by controlling the number of layers, providing a basis for further investigation of this material.
- Authors:
-
- National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); AECOM, South Park, PA (United States)
- National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)
- Publication Date:
- Research Org.:
- National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)
- Sponsoring Org.:
- USDOE Office of Fossil Energy (FE)
- OSTI Identifier:
- 1478189
- Grant/Contract Number:
- FE0004000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry Letters
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 7; Journal ID: ISSN 1948-7185
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Lee, Junseok, Sorescu, Dan C., and Deng, Xingyi. Tunable Lattice Constant and Band Gap of Single- and Few-Layer ZnO. United States: N. p., 2016.
Web. doi:10.1021/acs.jpclett.6b00432.
Lee, Junseok, Sorescu, Dan C., & Deng, Xingyi. Tunable Lattice Constant and Band Gap of Single- and Few-Layer ZnO. United States. https://doi.org/10.1021/acs.jpclett.6b00432
Lee, Junseok, Sorescu, Dan C., and Deng, Xingyi. Tue .
"Tunable Lattice Constant and Band Gap of Single- and Few-Layer ZnO". United States. https://doi.org/10.1021/acs.jpclett.6b00432. https://www.osti.gov/servlets/purl/1478189.
@article{osti_1478189,
title = {Tunable Lattice Constant and Band Gap of Single- and Few-Layer ZnO},
author = {Lee, Junseok and Sorescu, Dan C. and Deng, Xingyi},
abstractNote = {Single and few-layer ZnO(0001) (ZnO(nL), n = 1–4) grown on Au(111) have been characterized via scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and density functional theory (DFT) calculations. We find that the in-plane lattice constants of the ZnO(nL, n ≤ 3) are expanded compared to that of the bulk wurtzite ZnO(0001). The lattice constant reaches a maximum expansion of 3% in the ZnO(2L) and decreases to the bulk wurtzite ZnO value in the ZnO(4L). The band gap decreases monotonically with increasing number of ZnO layers from 4.48 eV (ZnO(1L)) to 3.42 eV (ZnO(4L)). These results suggest that a transition from a planar to the bulk-like ZnO structure occurs around the thickness of ZnO(4L). Furthermore the work also demonstrates that the lattice constant and the band gap in ultrathin ZnO can be tuned by controlling the number of layers, providing a basis for further investigation of this material.},
doi = {10.1021/acs.jpclett.6b00432},
journal = {Journal of Physical Chemistry Letters},
number = 7,
volume = 7,
place = {United States},
year = {Tue Mar 22 00:00:00 EDT 2016},
month = {Tue Mar 22 00:00:00 EDT 2016}
}
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