Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials
Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been report...
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| Published in | Nature communications Vol. 8; no. 1; pp. 14956 - 8 |
|---|---|
| Main Authors | , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
London
Nature Publishing Group UK
07.04.2017
Nature Publishing Group Nature Portfolio |
| Subjects | |
| Online Access | Get full text |
| ISSN | 2041-1723 2041-1723 |
| DOI | 10.1038/ncomms14956 |
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| Abstract | Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In
2
Se
3
and other III
2
-VI
3
van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In
2
Se
3
/graphene, exhibiting a tunable Schottky barrier, and In
2
Se
3
/WSe
2
, showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications.
The development of devices based on 2D materials beyond graphene benefits from identifying compounds with diverse functional properties. Here, the authors predict computationally that 2D In
2
Se
3
and related materials are room temperature ferroelectrics with both in- and out-of-plane polarization. |
|---|---|
| AbstractList | Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In
2
Se
3
and other III
2
-VI
3
van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In
2
Se
3
/graphene, exhibiting a tunable Schottky barrier, and In
2
Se
3
/WSe
2
, showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications.
The development of devices based on 2D materials beyond graphene benefits from identifying compounds with diverse functional properties. Here, the authors predict computationally that 2D In
2
Se
3
and related materials are room temperature ferroelectrics with both in- and out-of-plane polarization. Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In2Se3 and other III2-VI3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In2Se3/graphene, exhibiting a tunable Schottky barrier, and In2Se3/WSe2, showing a significant band gap reduction in the combined system. Lastly, these findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications. Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In2 Se3 and other III2 -VI3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In2 Se3 /graphene, exhibiting a tunable Schottky barrier, and In2 Se3 /WSe2 , showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications. Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In2Se3 and other III2-VI3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In2Se3/graphene, exhibiting a tunable Schottky barrier, and In2Se3/WSe2, showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications.Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In2Se3 and other III2-VI3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In2Se3/graphene, exhibiting a tunable Schottky barrier, and In2Se3/WSe2, showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications. The development of devices based on 2D materials beyond graphene benefits from identifying compounds with diverse functional properties. Here, the authors predict computationally that 2D In2Se3and related materials are room temperature ferroelectrics with both in- and out-of-plane polarization. Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In 2 Se 3 and other III 2 -VI 3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In 2 Se 3 /graphene, exhibiting a tunable Schottky barrier, and In 2 Se 3 /WSe 2 , showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications. |
| ArticleNumber | 14956 |
| Author | Wang, Zhe Zhang, Zhenyu Zhu, Jianbao Xiao, Di Zhu, Wenguang Ding, Wenjun Gao, Yanfei Gu, Yi |
| Author_xml | – sequence: 1 givenname: Wenjun surname: Ding fullname: Ding, Wenjun organization: Department of Physics, University of Science and Technology of China, International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, School of Physical Sciences, University of Science and Technology of China – sequence: 2 givenname: Jianbao surname: Zhu fullname: Zhu, Jianbao organization: Department of Physics, University of Science and Technology of China, International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, School of Physical Sciences, University of Science and Technology of China, Beijing Computational Science Research Center – sequence: 3 givenname: Zhe surname: Wang fullname: Wang, Zhe organization: Department of Physics, University of Science and Technology of China, International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, School of Physical Sciences, University of Science and Technology of China – sequence: 4 givenname: Yanfei orcidid: 0000-0003-2082-857X surname: Gao fullname: Gao, Yanfei organization: Department of Materials Science and Engineering, University of Tennessee, Materials Science and Technology Division, Oak Ridge National Laboratory – sequence: 5 givenname: Di surname: Xiao fullname: Xiao, Di organization: Department of Physics, Carnegie Mellon University – sequence: 6 givenname: Yi surname: Gu fullname: Gu, Yi organization: Department of Physics and Astronomy, Washington State University – sequence: 7 givenname: Zhenyu surname: Zhang fullname: Zhang, Zhenyu organization: International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China – sequence: 8 givenname: Wenguang surname: Zhu fullname: Zhu, Wenguang email: wgzhu@ustc.edu.cn organization: Department of Physics, University of Science and Technology of China, International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, School of Physical Sciences, University of Science and Technology of China |
| BackLink | https://www.osti.gov/servlets/purl/1489368$$D View this record in Osti.gov |
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| Copyright | The Author(s) 2017 Copyright Nature Publishing Group Apr 2017 Copyright © 2017, The Author(s) 2017 The Author(s) |
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| Snippet | Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However,... The development of devices based on 2D materials beyond graphene benefits from identifying compounds with diverse functional properties. Here, the authors... |
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| SubjectTerms | 119/118 639/301/357/1018 639/766/119/996 Ferroelectrics Humanities and Social Sciences MATERIALS SCIENCE multidisciplinary Science Science (multidisciplinary) |
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| Title | Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials |
| URI | https://link.springer.com/article/10.1038/ncomms14956 https://www.proquest.com/docview/1884860304 https://www.proquest.com/docview/1885942427 https://www.osti.gov/servlets/purl/1489368 https://pubmed.ncbi.nlm.nih.gov/PMC5385629 https://doaj.org/article/6f89bf6113254d0d8ec25239fe110eee |
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