Effects of Geometry and Symmetry on Electron Transport through Graphene–Carbon-Chain Junctions
The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green’s function method combined with the density functional theory. The symmetry of the orbitals in the carbon chain critically selects the modes and...
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| Veröffentlicht in: | Journal of physical chemistry. C 2013-09, Vol.117 (37), p.18845-18850 |
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| container_issue | 37 |
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| container_title | Journal of physical chemistry. C |
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| creator | Dong, Yao-Jun Wang, Xue-Feng Zhai, Ming-Xing Wu, Jian-Chun Zhou, Liping Han, Qin Wu, Xue-Mei |
| description | The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green’s function method combined with the density functional theory. The symmetry of the orbitals in the carbon chain critically selects the modes and energies of the transporting electrons. The electron transport near the Fermi energy can be well-manipulated by the position and the number of carbon chains contacting the nanoribbons. In symmetric ZGNRs connected by a central carbon chain, a square conductance step appears at the Fermi energy because the antisymmetric modes below it are not allowed to go through the chain. These modes can additionally contribute to the conductance if side carbon chains are added in the connection. By choosing a proper geometry configuration, we can realize Ohmic contact, current stabilizer, or the negative differential resistance phenomenon in the devices. |
| doi_str_mv | 10.1021/jp405318b |
| format | Article |
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The symmetry of the orbitals in the carbon chain critically selects the modes and energies of the transporting electrons. The electron transport near the Fermi energy can be well-manipulated by the position and the number of carbon chains contacting the nanoribbons. In symmetric ZGNRs connected by a central carbon chain, a square conductance step appears at the Fermi energy because the antisymmetric modes below it are not allowed to go through the chain. These modes can additionally contribute to the conductance if side carbon chains are added in the connection. By choosing a proper geometry configuration, we can realize Ohmic contact, current stabilizer, or the negative differential resistance phenomenon in the devices.</description><identifier>ISSN: 1932-7447</identifier><identifier>EISSN: 1932-7455</identifier><identifier>DOI: 10.1021/jp405318b</identifier><language>eng</language><publisher>Columbus, OH: American Chemical Society</publisher><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Cross-disciplinary physics: materials science; rheology ; Crystalline state (including molecular motions in solids) ; Electron states ; Exact sciences and technology ; Fermi surface: calculations and measurements; effective mass, g factor ; Fullerenes and related materials; diamonds, graphite ; Materials science ; Methods of electronic structure calculations ; Physics ; Specific materials ; Structure of solids and liquids; crystallography ; Theory of crystal structure, crystal symmetry; calculations and modeling</subject><ispartof>Journal of physical chemistry. 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C</title><addtitle>J. Phys. Chem. C</addtitle><description>The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green’s function method combined with the density functional theory. The symmetry of the orbitals in the carbon chain critically selects the modes and energies of the transporting electrons. The electron transport near the Fermi energy can be well-manipulated by the position and the number of carbon chains contacting the nanoribbons. In symmetric ZGNRs connected by a central carbon chain, a square conductance step appears at the Fermi energy because the antisymmetric modes below it are not allowed to go through the chain. These modes can additionally contribute to the conductance if side carbon chains are added in the connection. By choosing a proper geometry configuration, we can realize Ohmic contact, current stabilizer, or the negative differential resistance phenomenon in the devices.</description><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Cross-disciplinary physics: materials science; rheology</subject><subject>Crystalline state (including molecular motions in solids)</subject><subject>Electron states</subject><subject>Exact sciences and technology</subject><subject>Fermi surface: calculations and measurements; effective mass, g factor</subject><subject>Fullerenes and related materials; diamonds, graphite</subject><subject>Materials science</subject><subject>Methods of electronic structure calculations</subject><subject>Physics</subject><subject>Specific materials</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Theory of crystal structure, crystal symmetry; calculations and modeling</subject><issn>1932-7447</issn><issn>1932-7455</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNptkL1OwzAUhS0EEqUw8AZeGBgC_o2TEUWlgCoxUOZw7dgkVWtHdjp04x14Q56EoKKyMN1zpe8c6RyELim5oYTR21UviOS00EdoQkvOMiWkPD5ooU7RWUorMkKE8gl6mzlnzZBwcHhuw8YOcYfBN_hlt9k_wePZekTiKJYRfOpDHPDQxrB9b_E8Qt9ab78-PiuIOvisaqHz-GnrzdAFn87RiYN1she_d4pe72fL6iFbPM8fq7tFBrwkQ2ah4ZBTXTJuGm0lUSVrhBS6UK7QCijjJJe6EYXLGVfcEFqqXCrJSqklMXyKrve5JoaUonV1H7sNxF1NSf0zTX2YZmSv9mwPycDaja1Mlw4GplQhJGF_HJhUr8I2-rHBP3nfv4hwog</recordid><startdate>20130919</startdate><enddate>20130919</enddate><creator>Dong, Yao-Jun</creator><creator>Wang, Xue-Feng</creator><creator>Zhai, Ming-Xing</creator><creator>Wu, Jian-Chun</creator><creator>Zhou, Liping</creator><creator>Han, Qin</creator><creator>Wu, Xue-Mei</creator><general>American Chemical Society</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20130919</creationdate><title>Effects of Geometry and Symmetry on Electron Transport through Graphene–Carbon-Chain Junctions</title><author>Dong, Yao-Jun ; Wang, Xue-Feng ; Zhai, Ming-Xing ; Wu, Jian-Chun ; Zhou, Liping ; Han, Qin ; Wu, Xue-Mei</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a390t-ead3a61b923cdbe50792d454b87f8b7a123065bd48f62373c01976575295b50c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Cross-disciplinary physics: materials science; rheology</topic><topic>Crystalline state (including molecular motions in solids)</topic><topic>Electron states</topic><topic>Exact sciences and technology</topic><topic>Fermi surface: calculations and measurements; effective mass, g factor</topic><topic>Fullerenes and related materials; diamonds, graphite</topic><topic>Materials science</topic><topic>Methods of electronic structure calculations</topic><topic>Physics</topic><topic>Specific materials</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Theory of crystal structure, crystal symmetry; calculations and modeling</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Dong, Yao-Jun</creatorcontrib><creatorcontrib>Wang, Xue-Feng</creatorcontrib><creatorcontrib>Zhai, Ming-Xing</creatorcontrib><creatorcontrib>Wu, Jian-Chun</creatorcontrib><creatorcontrib>Zhou, Liping</creatorcontrib><creatorcontrib>Han, Qin</creatorcontrib><creatorcontrib>Wu, Xue-Mei</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><jtitle>Journal of physical chemistry. C</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Dong, Yao-Jun</au><au>Wang, Xue-Feng</au><au>Zhai, Ming-Xing</au><au>Wu, Jian-Chun</au><au>Zhou, Liping</au><au>Han, Qin</au><au>Wu, Xue-Mei</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Effects of Geometry and Symmetry on Electron Transport through Graphene–Carbon-Chain Junctions</atitle><jtitle>Journal of physical chemistry. C</jtitle><addtitle>J. Phys. Chem. C</addtitle><date>2013-09-19</date><risdate>2013</risdate><volume>117</volume><issue>37</issue><spage>18845</spage><epage>18850</epage><pages>18845-18850</pages><issn>1932-7447</issn><eissn>1932-7455</eissn><abstract>The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green’s function method combined with the density functional theory. The symmetry of the orbitals in the carbon chain critically selects the modes and energies of the transporting electrons. The electron transport near the Fermi energy can be well-manipulated by the position and the number of carbon chains contacting the nanoribbons. In symmetric ZGNRs connected by a central carbon chain, a square conductance step appears at the Fermi energy because the antisymmetric modes below it are not allowed to go through the chain. These modes can additionally contribute to the conductance if side carbon chains are added in the connection. By choosing a proper geometry configuration, we can realize Ohmic contact, current stabilizer, or the negative differential resistance phenomenon in the devices.</abstract><cop>Columbus, OH</cop><pub>American Chemical Society</pub><doi>10.1021/jp405318b</doi><tpages>6</tpages><oa>free_for_read</oa></addata></record> |
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| subjects | Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Crystalline state (including molecular motions in solids) Electron states Exact sciences and technology Fermi surface: calculations and measurements effective mass, g factor Fullerenes and related materials diamonds, graphite Materials science Methods of electronic structure calculations Physics Specific materials Structure of solids and liquids crystallography Theory of crystal structure, crystal symmetry calculations and modeling |
| title | Effects of Geometry and Symmetry on Electron Transport through Graphene–Carbon-Chain Junctions |
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