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- Publisher Website: 10.1103/PhysRevB.63.121104
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Article: Ab initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C60 device
Title | Ab initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C60 device |
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Authors | |
Keywords | Physics |
Issue Date | 2001 |
Publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Citation | Physical Review B (Condensed Matter), 2001, v. 63 n. 12, article no. 121104 How to Cite? |
Abstract | We present an ab initio analysis of electron conduction through a C60 molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied molecular orbital of the C60 to the Fermi level of the electrodes. This alignment induces a substantial device conductance of ∼2.2×(2e2/h). A gate potential can inhibit charge transfer, and introduce a conductance gap near EF, changing the current-voltage characteristics from metallic to semiconducting, thereby producing a field-effect molecular current switch. |
Persistent Identifier | http://hdl.handle.net/10722/43341 |
ISSN | |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Taylor, J | en_HK |
dc.contributor.author | Guo, H | en_HK |
dc.contributor.author | Wang, J | en_HK |
dc.date.accessioned | 2007-03-23T04:43:54Z | - |
dc.date.available | 2007-03-23T04:43:54Z | - |
dc.date.issued | 2001 | en_HK |
dc.identifier.citation | Physical Review B (Condensed Matter), 2001, v. 63 n. 12, article no. 121104 | - |
dc.identifier.issn | 0163-1829 | - |
dc.identifier.uri | http://hdl.handle.net/10722/43341 | - |
dc.description.abstract | We present an ab initio analysis of electron conduction through a C60 molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied molecular orbital of the C60 to the Fermi level of the electrodes. This alignment induces a substantial device conductance of ∼2.2×(2e2/h). A gate potential can inhibit charge transfer, and introduce a conductance gap near EF, changing the current-voltage characteristics from metallic to semiconducting, thereby producing a field-effect molecular current switch. | en_HK |
dc.format.extent | 268180 bytes | - |
dc.format.extent | 25600 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.format.mimetype | application/msword | - |
dc.language | eng | en_HK |
dc.publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ | en_HK |
dc.relation.ispartof | Physical Review B (Condensed Matter) | - |
dc.rights | Copyright 2001 by The American Physical Society. This article is available online at https://doi.org/10.1103/PhysRevB.63.121104 | - |
dc.subject | Physics | en_HK |
dc.title | Ab initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C60 device | en_HK |
dc.type | Article | en_HK |
dc.identifier.openurl | http://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=63&issue=12&spage=121104:1&epage=4&date=2001&atitle=Ab+initio+modeling+of+open+systems:+Charge+transfer,+electron+conduction,+and+molecular+switching+of+a+C60+device | en_HK |
dc.description.nature | published_or_final_version | en_HK |
dc.identifier.doi | 10.1103/PhysRevB.63.121104 | en_HK |
dc.identifier.scopus | eid_2-s2.0-0000512336 | - |
dc.identifier.hkuros | 65406 | - |
dc.identifier.volume | 63 | - |
dc.identifier.issue | 12 | - |
dc.identifier.spage | article no. 121104 | - |
dc.identifier.epage | article no. 121104 | - |
dc.identifier.isi | WOS:000167806600004 | - |
dc.identifier.issnl | 0163-1829 | - |