Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures
Two-dimensional (2D) van der Waals (vdWs) ferroelectric heterostructures provide a platform to design multifunctional electronic devices. In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, cha...
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creator | Lang, Yu-Fei Zou, Daifeng Xu, Ying Jiang, Shaolong Zhao, Yu-Qing Ang, Yee-Sin |
description | Two-dimensional (2D) van der Waals (vdWs) ferroelectric heterostructures provide a platform to design multifunctional electronic devices. In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, charge transfer, and polarization switching barriers by employing first-principle calculation. The results show that the polarization reversal of α-In2Se3 engineers band alignment transition from type-II (α-In2Se3-P↑/Cs3Bi2I9) to type-I (α-In2Se3-P↓/Cs3Bi2I9), resulting in an indirect bandgap changing from 0.09 to 0.75 eV. Calculated electron effective masses are isotropic, which is smaller than those of anisotropic hole effective masses. Interfacial charges transfer from Cs3Bi2I9 to α-In2Se3, which can be ascribed to work function difference. By combining non-equilibrium Green's functions, the current–voltage characteristics of α-In2Se3/Cs3Bi2I9 based ferroelectric tunnel junction were investigated, and the current on/off ratio of 103 is resulted by spatial charge carrier separation and recombination. The proposed electron–hole separation transport design strategy provides a comprehensive theoretical support for the development of microelectronic storage devices. |
doi_str_mv | 10.1063/5.0189709 |
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In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, charge transfer, and polarization switching barriers by employing first-principle calculation. The results show that the polarization reversal of α-In2Se3 engineers band alignment transition from type-II (α-In2Se3-P↑/Cs3Bi2I9) to type-I (α-In2Se3-P↓/Cs3Bi2I9), resulting in an indirect bandgap changing from 0.09 to 0.75 eV. Calculated electron effective masses are isotropic, which is smaller than those of anisotropic hole effective masses. Interfacial charges transfer from Cs3Bi2I9 to α-In2Se3, which can be ascribed to work function difference. By combining non-equilibrium Green's functions, the current–voltage characteristics of α-In2Se3/Cs3Bi2I9 based ferroelectric tunnel junction were investigated, and the current on/off ratio of 103 is resulted by spatial charge carrier separation and recombination. The proposed electron–hole separation transport design strategy provides a comprehensive theoretical support for the development of microelectronic storage devices.</description><identifier>ISSN: 0003-6951</identifier><identifier>EISSN: 1077-3118</identifier><identifier>DOI: 10.1063/5.0189709</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Alignment ; Carrier recombination ; Charge transfer ; Current carriers ; Current voltage characteristics ; Ferroelectric materials ; Ferroelectricity ; First principles ; Green's functions ; Heterostructures ; Mathematical analysis ; Polarization ; Separation ; Tunnel junctions ; Work functions</subject><ispartof>Applied physics letters, 2024-01, Vol.124 (5)</ispartof><rights>2024 Author(s). Published under an exclusive license by AIP Publishing.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c222t-a55e670381134323c168516185201ebee62533f6493eb9b9d6c7e51dc02dae693</citedby><cites>FETCH-LOGICAL-c222t-a55e670381134323c168516185201ebee62533f6493eb9b9d6c7e51dc02dae693</cites><orcidid>0000-0001-8708-0776 ; 0009-0000-2864-0905 ; 0000-0002-1637-1610 ; 0000-0002-6249-9383 ; 0009-0005-0215-8228 ; 0000-0001-8073-5346</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Lang, Yu-Fei</creatorcontrib><creatorcontrib>Zou, Daifeng</creatorcontrib><creatorcontrib>Xu, Ying</creatorcontrib><creatorcontrib>Jiang, Shaolong</creatorcontrib><creatorcontrib>Zhao, Yu-Qing</creatorcontrib><creatorcontrib>Ang, Yee-Sin</creatorcontrib><title>Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures</title><title>Applied physics letters</title><description>Two-dimensional (2D) van der Waals (vdWs) ferroelectric heterostructures provide a platform to design multifunctional electronic devices. In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, charge transfer, and polarization switching barriers by employing first-principle calculation. The results show that the polarization reversal of α-In2Se3 engineers band alignment transition from type-II (α-In2Se3-P↑/Cs3Bi2I9) to type-I (α-In2Se3-P↓/Cs3Bi2I9), resulting in an indirect bandgap changing from 0.09 to 0.75 eV. Calculated electron effective masses are isotropic, which is smaller than those of anisotropic hole effective masses. Interfacial charges transfer from Cs3Bi2I9 to α-In2Se3, which can be ascribed to work function difference. By combining non-equilibrium Green's functions, the current–voltage characteristics of α-In2Se3/Cs3Bi2I9 based ferroelectric tunnel junction were investigated, and the current on/off ratio of 103 is resulted by spatial charge carrier separation and recombination. The proposed electron–hole separation transport design strategy provides a comprehensive theoretical support for the development of microelectronic storage devices.</description><subject>Alignment</subject><subject>Carrier recombination</subject><subject>Charge transfer</subject><subject>Current carriers</subject><subject>Current voltage characteristics</subject><subject>Ferroelectric materials</subject><subject>Ferroelectricity</subject><subject>First principles</subject><subject>Green's functions</subject><subject>Heterostructures</subject><subject>Mathematical analysis</subject><subject>Polarization</subject><subject>Separation</subject><subject>Tunnel junctions</subject><subject>Work functions</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNot0MFKAzEQBuAgCtbqwTcIePKwbSbTZDdHLVULBQ8qHpc0O0u3tJs2ySo-li_iM7nanoaBmY-Zn7FrECMQGsdqJKAwuTAnbAAizzMEKE7ZQAiBmTYKztlFjOu-VRJxwPazDbkUfNs47lY2WJcoNDE1LnJf87Qinj59VjVbamPjW7vhH7blFQX-bu0m8ppC8PSP9MTPdzZv5QvheBrxvpFzw1fUiz6m0LnUBYqX7KzuF-nqWIfs7WH2On3KFs-P8-ndInNSypRZpUjnAgsAnKBEB7pQoKFQUgAtibRUiLWeGKSlWZpKu5wUVE7IypI2OGQ3B3cX_L6jmMq170L_QCylkSCLiejZIbs9TLn-xhioLneh2drwVYIo_xItVXlMFH8Bh2RoPA</recordid><startdate>20240129</startdate><enddate>20240129</enddate><creator>Lang, Yu-Fei</creator><creator>Zou, Daifeng</creator><creator>Xu, Ying</creator><creator>Jiang, Shaolong</creator><creator>Zhao, Yu-Qing</creator><creator>Ang, Yee-Sin</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0001-8708-0776</orcidid><orcidid>https://orcid.org/0009-0000-2864-0905</orcidid><orcidid>https://orcid.org/0000-0002-1637-1610</orcidid><orcidid>https://orcid.org/0000-0002-6249-9383</orcidid><orcidid>https://orcid.org/0009-0005-0215-8228</orcidid><orcidid>https://orcid.org/0000-0001-8073-5346</orcidid></search><sort><creationdate>20240129</creationdate><title>Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures</title><author>Lang, Yu-Fei ; Zou, Daifeng ; Xu, Ying ; Jiang, Shaolong ; Zhao, Yu-Qing ; Ang, Yee-Sin</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c222t-a55e670381134323c168516185201ebee62533f6493eb9b9d6c7e51dc02dae693</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Alignment</topic><topic>Carrier recombination</topic><topic>Charge transfer</topic><topic>Current carriers</topic><topic>Current voltage characteristics</topic><topic>Ferroelectric materials</topic><topic>Ferroelectricity</topic><topic>First principles</topic><topic>Green's functions</topic><topic>Heterostructures</topic><topic>Mathematical analysis</topic><topic>Polarization</topic><topic>Separation</topic><topic>Tunnel junctions</topic><topic>Work functions</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lang, Yu-Fei</creatorcontrib><creatorcontrib>Zou, Daifeng</creatorcontrib><creatorcontrib>Xu, Ying</creatorcontrib><creatorcontrib>Jiang, Shaolong</creatorcontrib><creatorcontrib>Zhao, Yu-Qing</creatorcontrib><creatorcontrib>Ang, Yee-Sin</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lang, Yu-Fei</au><au>Zou, Daifeng</au><au>Xu, Ying</au><au>Jiang, Shaolong</au><au>Zhao, Yu-Qing</au><au>Ang, Yee-Sin</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures</atitle><jtitle>Applied physics letters</jtitle><date>2024-01-29</date><risdate>2024</risdate><volume>124</volume><issue>5</issue><issn>0003-6951</issn><eissn>1077-3118</eissn><abstract>Two-dimensional (2D) van der Waals (vdWs) ferroelectric heterostructures provide a platform to design multifunctional electronic devices. In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, charge transfer, and polarization switching barriers by employing first-principle calculation. The results show that the polarization reversal of α-In2Se3 engineers band alignment transition from type-II (α-In2Se3-P↑/Cs3Bi2I9) to type-I (α-In2Se3-P↓/Cs3Bi2I9), resulting in an indirect bandgap changing from 0.09 to 0.75 eV. Calculated electron effective masses are isotropic, which is smaller than those of anisotropic hole effective masses. Interfacial charges transfer from Cs3Bi2I9 to α-In2Se3, which can be ascribed to work function difference. By combining non-equilibrium Green's functions, the current–voltage characteristics of α-In2Se3/Cs3Bi2I9 based ferroelectric tunnel junction were investigated, and the current on/off ratio of 103 is resulted by spatial charge carrier separation and recombination. 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subjects | Alignment Carrier recombination Charge transfer Current carriers Current voltage characteristics Ferroelectric materials Ferroelectricity First principles Green's functions Heterostructures Mathematical analysis Polarization Separation Tunnel junctions Work functions |
title | Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures |
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