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- Publisher Website: 10.1103/PhysRevB.87.085110
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Article: First-principles time-dependent quantum transport theory
Title | First-principles time-dependent quantum transport theory |
---|---|
Authors | |
Issue Date | 2013 |
Publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Citation | Physical Review B (Condensed Matter and Materials Physics), 2013, v. 87 n. 8, article no. 085110 How to Cite? |
Abstract | A practical first-principles scheme for time-dependent transport through realistic systems at finite temperature is established by the combination of time-dependent density functional theory and nonequilibrium Green's-function formalism with wide-band limit approximation. This method extends the adiabatic wide-band limit approximation developed earlier [Zheng et al., Phys. Rev. B 75, 195127 (2007)]. It is implemented with both time-dependent density functional theory and time-dependent density functional tight-binding method and is applied to simulate the time-dependent transport through a carbon nanotube based electronic device to demonstrate its validity. |
Persistent Identifier | http://hdl.handle.net/10722/185674 |
ISSN | 2014 Impact Factor: 3.736 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Zhang, Y | - |
dc.contributor.author | Chen, S | - |
dc.contributor.author | Chen, G | - |
dc.date.accessioned | 2013-08-20T11:37:21Z | - |
dc.date.available | 2013-08-20T11:37:21Z | - |
dc.date.issued | 2013 | - |
dc.identifier.citation | Physical Review B (Condensed Matter and Materials Physics), 2013, v. 87 n. 8, article no. 085110 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10722/185674 | - |
dc.description.abstract | A practical first-principles scheme for time-dependent transport through realistic systems at finite temperature is established by the combination of time-dependent density functional theory and nonequilibrium Green's-function formalism with wide-band limit approximation. This method extends the adiabatic wide-band limit approximation developed earlier [Zheng et al., Phys. Rev. B 75, 195127 (2007)]. It is implemented with both time-dependent density functional theory and time-dependent density functional tight-binding method and is applied to simulate the time-dependent transport through a carbon nanotube based electronic device to demonstrate its validity. | - |
dc.language | eng | - |
dc.publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ | - |
dc.relation.ispartof | Physical Review B (Condensed Matter and Materials Physics) | - |
dc.rights | Copyright 2013 by The American Physical Society. This article is available online at https://doi.org/10.1103/PhysRevB.87.085110 | - |
dc.title | First-principles time-dependent quantum transport theory | - |
dc.type | Article | - |
dc.identifier.email | Chen, S: sgchen@hku.hk | - |
dc.identifier.email | Chen, G: ghc@yangtze.hku.hk | - |
dc.identifier.authority | Chen, S=rp02785 | - |
dc.identifier.authority | Chen, G=rp00671 | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.1103/PhysRevB.87.085110 | - |
dc.identifier.scopus | eid_2-s2.0-84874524483 | - |
dc.identifier.hkuros | 219106 | - |
dc.identifier.volume | 87 | - |
dc.identifier.issue | 8 | - |
dc.identifier.spage | article no. 085110 | - |
dc.identifier.epage | article no. 085110 | - |
dc.identifier.isi | WOS:000314762800003 | - |
dc.publisher.place | United States | - |
dc.identifier.issnl | 1098-0121 | - |