Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface
Density functional theory calculations of NdAlO3/SrTiO3 heterostructure show that two-dimensional electron gas (2-DEG) is produced at the interface with a built-in potential of ~0.3 eV per unit cell. The effects of surface defects on the phase stability and electric field of 2-DEG have been investig...
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Nature Publishing Group
2014
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4073165/ |
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pubmed-40731652014-06-27 Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface Xiang, X. Qiao, L. Xiao, H. Y. Gao, F. Zu, X. T. Li, S. Zhou, W. L. Article Density functional theory calculations of NdAlO3/SrTiO3 heterostructure show that two-dimensional electron gas (2-DEG) is produced at the interface with a built-in potential of ~0.3 eV per unit cell. The effects of surface defects on the phase stability and electric field of 2-DEG have been investigated. It is found that oxygen vacancy is easily to form on the NdAlO3(001) surface, with a low threshold displacement energy and a low formation energy. This point defect results in surface reconstruction and the formation of a zigzag -Al-O-Al- chain, which quenches the built-in potential and enhances the carrier density significantly. These results will provide fundamental insights into understanding how surface defects influence the electronic behavior of 2-DEG and tuning their electronic properties through surface modification. Nature Publishing Group 2014-06-27 /pmc/articles/PMC4073165/ /pubmed/24969627 http://dx.doi.org/10.1038/srep05477 Text en Copyright © 2014, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/4.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/4.0/ |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Xiang, X. Qiao, L. Xiao, H. Y. Gao, F. Zu, X. T. Li, S. Zhou, W. L. |
| spellingShingle |
Xiang, X. Qiao, L. Xiao, H. Y. Gao, F. Zu, X. T. Li, S. Zhou, W. L. Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface |
| author_facet |
Xiang, X. Qiao, L. Xiao, H. Y. Gao, F. Zu, X. T. Li, S. Zhou, W. L. |
| author_sort |
Xiang, X. |
| title |
Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface |
| title_short |
Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface |
| title_full |
Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface |
| title_fullStr |
Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface |
| title_full_unstemmed |
Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface |
| title_sort |
effects of surface defects on two-dimensional electron gas at ndalo3/srtio3 interface |
| description |
Density functional theory calculations of NdAlO3/SrTiO3 heterostructure show that two-dimensional electron gas (2-DEG) is produced at the interface with a built-in potential of ~0.3 eV per unit cell. The effects of surface defects on the phase stability and electric field of 2-DEG have been investigated. It is found that oxygen vacancy is easily to form on the NdAlO3(001) surface, with a low threshold displacement energy and a low formation energy. This point defect results in surface reconstruction and the formation of a zigzag -Al-O-Al- chain, which quenches the built-in potential and enhances the carrier density significantly. These results will provide fundamental insights into understanding how surface defects influence the electronic behavior of 2-DEG and tuning their electronic properties through surface modification. |
| publisher |
Nature Publishing Group |
| publishDate |
2014 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4073165/ |
| _version_ |
1612107047931740160 |