The Number of Transmission Channels Through a Single-Molecule Junction

被引：14

作者：

Bergfield, Justin P. ^{[1
]}

Barr, Joshua D. ^{[2
]}

Stafford, Charles A. ^{[2
]}

机构：

[1] Univ Arizona, Coll Opt Sci, Tucson, AZ 85721 USA

[2] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA

来源：

ACS NANO | 2011年 / 5卷 / 04期

关键词：

many-body theory; transmission channels; single-molecule junction; lead-molecule coupling; wave-particle duality; SHOT-NOISE MEASUREMENTS; BENZENE ADSORPTION; DENSITY; PT(111); BUCKMINSTERFULLERENE; CONDUCTION; SPECTRA; VALENCE; STATES; MODEL;

D O I：

10.1021/nn1030753

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We calculate transmission eigenvalue distributions for Pt-benzene-Pt and Pt-butadiene-Pt junctions using realistic state-of-the-art many-body techniques. An effective field theory of interacting pi-electrons is used to include screening and van der Waals interactions with the metal electrodes. We find that the number of dominant transmission channels in a molecular junction is equal to the degeneracy of the molecular orbital closest to the metal Fermi level.

引用

页码：2707 / 2714

页数：8

共 35 条

[1] Quantum properties of atomic-sized conductors
Agraït, N
Yeyati, AL
van Ruitenbeek, JM
[J]. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2003, 377 (2-3): : 81 - 279
[2] Coherent destruction of Coulomb blockade peaks in molecular junctions
Bergfield, J. P.
Jacquod, Ph.
Stafford, C. A.
[J]. PHYSICAL REVIEW B, 2010, 82 (20)
[3] Thermoelectric Signatures of Coherent Transport in Single-Molecule Heterojunctions
Bergfield, J. P.
Stafford, C. A.
[J]. NANO LETTERS, 2009, 9 (08) : 3072 - 3076
[4] Many-body theory of electronic transport in single-molecule heterojunctions
Bergfield, J. P.
Stafford, C. A.
[J]. PHYSICAL REVIEW B, 2009, 79 (24)
[5] Giant Thermoelectric Effect from Transmission Supernodes
Bergfield, Justin P.
Solis, Michelle A.
Stafford, Charles A.
[J]. ACS NANO, 2010, 4 (09) : 5314 - 5320
[6] Quantum necking in stressed metallic nanowires -: art. no. 254501
Bürki, J
Goldstein, RE
Stafford, CA
[J]. PHYSICAL REVIEW LETTERS, 2003, 91 (25) : 254501 - 254501
[7] Screening and the quantitative π-model description of the optical spectra and polarizations of phenyl based oligomers
Castleton, CWM
Barford, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (08) : 3570 - 3582
[8] Multiple-charge-quanta shot noise in superconducting atomic contacts
Cron, R
Goffman, MF
Esteve, D
Urbina, C
[J]. PHYSICAL REVIEW LETTERS, 2001, 86 (18) : 4104 - 4107
[9] Density functional theory study of benzene adsorption on small pd and pt clusters
Cruz, Mauri Cio T. De M.
Carneiro, José Walkimar De M.
Aranda, Donato A. G.
Buehl, Michael
[J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (29) : 11068 - 11076
[10] Shot noise measurements on a single molecule
Djukic, D
van Ruitenbeek, JM
[J]. NANO LETTERS, 2006, 6 (04) : 789 - 793

← 1 2 3 4 →