-
1
-
-
0003535541
-
-
Oxford University Press, New York
-
An Introduction to Molecular Electronics, edited by, M. C. Petty, and, M. Bryce, (Oxford University Press, New York, 1995).
-
(1995)
An Introduction to Molecular Electronics
-
-
Petty, M.C.1
Bryce, M.2
-
2
-
-
0037960111
-
-
J. R. Heath and M. A. Ratner, Phys. Today 56 (5), 43 (2003).
-
(2003)
Phys. Today
, vol.56
, Issue.5
, pp. 43
-
-
Heath, J.R.1
-
4
-
-
0034735798
-
-
C. Joachim, J. K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000).
-
(2000)
Nature (London)
, vol.408
, pp. 541
-
-
Joachim, C.1
-
6
-
-
1842413643
-
-
M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science 278, 252 (1997).
-
(1997)
Science
, vol.278
, pp. 252
-
-
Reed, M.A.1
-
7
-
-
0000795025
-
-
C. Kergueris, J. P. Bourgoin, S. Palacin, D. Esteve, C. Urbina, M. Magoga, and C. Joachim, Phys. Rev. B 59, 12505 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 12505
-
-
Kergueris, C.1
-
8
-
-
0037192991
-
-
J. Reichert, R. Ochs, D. Beckmann, H. B. Weber, M. Mayor, and H. v. Löhneysen, Phys. Rev. Lett. 88, 176804 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 176804
-
-
Reichert, J.1
-
10
-
-
0011879482
-
-
H. Park, A. K. L. Lim, A. P. Alivisatos, J. Park, and P. L. McEuen, Appl. Phys. Lett. 75, 301 (1999).
-
(1999)
Appl. Phys. Lett.
, vol.75
, pp. 301
-
-
Park, H.1
-
11
-
-
79955987350
-
-
Y. V. Kervennic, H. S. J. Van der Zant, A. F. Morpurgo, L. Gurevich, and L. P. Kouwenhoven, Appl. Phys. Lett. 80, 321 (2002).
-
(2002)
Appl. Phys. Lett.
, vol.80
, pp. 321
-
-
Kervennic, Y.V.1
-
12
-
-
22944489024
-
-
private communication
-
M.S. Fuhrer (private communication).
-
-
-
Fuhrer, M.S.1
-
13
-
-
0037206850
-
-
R. H. M. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. van Hemert, and J. M. van Ruitenbeek, Nature (London) 419, 906 (2002).
-
(2002)
Nature (London)
, vol.419
, pp. 906
-
-
Smit, R.H.M.1
-
14
-
-
0042113153
-
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A 1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
-
19
-
-
0035883571
-
-
N. D. Lang and Ph. Avouris, Phys. Rev. B 64, 125323 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 125323
-
-
Lang, N.D.1
-
22
-
-
4243720937
-
-
J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245407
-
-
Taylor, J.1
-
23
-
-
0035890458
-
-
P. S. Damle, A. W. Ghosh, and S. Datta, Phys. Rev. B 64, 201403 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 201403
-
-
Damle, P.S.1
-
24
-
-
0037103050
-
-
Y. Xue, S. Datta, and M. A. Ratner, Chem. Phys. 281, 151 (2002).
-
(2002)
Chem. Phys.
, vol.281
, pp. 151
-
-
Xue, Y.1
-
25
-
-
0037091644
-
-
M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 165401
-
-
Brandbyge, M.1
-
26
-
-
0038120905
-
-
E. Louis, J. A. Vergs, J. J. Palacios, A. J. Prez-Jimnez, and E. SanFabin, Phys. Rev. B 67, 155321 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 155321
-
-
Louis, E.1
-
27
-
-
19544371916
-
-
S.-H. Ke, H. U. Baranger, and W. Yang, Phys. Rev. B 70, 085410 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 085410
-
-
Ke, S.-H.1
-
28
-
-
0035449733
-
-
Y. Xue, S. Datta, and M. A. Ratner, J. Chem. Phys. 115, 4292 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 4292
-
-
Xue, Y.1
-
29
-
-
0242511131
-
-
Y. Xue and M. A. Ratner, Phys. Rev. B 68, 115407 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 115407
-
-
Xue, Y.1
-
30
-
-
0242679689
-
-
Y. Xue and M. A. Ratner, Phys. Rev. B 68, 115406 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 115406
-
-
Xue, Y.1
-
31
-
-
0013291529
-
-
J. J. Palacios, A. J. Prez-Jimnez, E. Louis, E. SanFabin, and J. A. Vergs, Phys. Rev. B 66, 035322 (2002).
-
(2002)
Phys. Rev. B
, vol.66
, pp. 035322
-
-
Palacios, J.J.1
-
32
-
-
0037965958
-
-
J. J. Palacios, A. J. Prez-Jimnez, E. Louis, E. SanFabin, and J. A. Vergs, Phys. Rev. Lett. 90, 106801 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 106801
-
-
Palacios, J.J.1
-
33
-
-
0037026162
-
-
S. K. Nielsen, M. Brandbyge, K. Hansen, K. Stokbro, J. M. van Ruitenbeek, and F. Besenbacher, Phys. Rev. Lett. 89, 066804 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 066804
-
-
Nielsen, S.K.1
-
34
-
-
0037163810
-
-
J. Taylor, M. Brandbyge, and K. Stokbro, Phys. Rev. Lett. 89, 138301 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 138301
-
-
Taylor, J.1
-
35
-
-
0242440304
-
-
J. Taylor, M. Brandbyge, and K. Stokbro, Phys. Rev. B 68, 121101 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 121101
-
-
Taylor, J.1
-
36
-
-
0037081488
-
-
C. Roland, B. Larade, J. Taylor, and H. Guo, Phys. Rev. B 65, 041401 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 041401
-
-
Roland, C.1
-
37
-
-
0037092750
-
-
H. Mehrez, A. Wlasenko, B. Larade, J. Taylor, P. Grtter, and H. Guo, Phys. Rev. B 65, 195419 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 195419
-
-
Mehrez, H.1
-
38
-
-
0037095441
-
-
C.-C. Kaun, B. Larade, H. Mehrez, J. Taylor, and H. Guo, Phys. Rev. B 65, 205416 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 205416
-
-
Kaun, C.-C.1
-
39
-
-
0038558464
-
-
C.-C. Kaun, B. Larade, and H. Guo, Phys. Rev. B 67, 121411 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 121411
-
-
Kaun, C.-C.1
-
40
-
-
0141454069
-
-
W. Lu, E. G. Wang, and H. Guo, Phys. Rev. B 68, 075407 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 075407
-
-
Lu, W.1
-
41
-
-
0037102962
-
-
M. Di Ventra, N. D. Lang, and S. T. Pantelides, Chem. Phys. 281, 189 (2002).
-
(2002)
Chem. Phys.
, vol.281
, pp. 189
-
-
Di Ventra, M.1
-
42
-
-
0037124807
-
-
J. G. Rodrigo, A. García-Martín, J. J. Sáenz, and S. Vieira, Phys. Rev. Lett. 88, 246801 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 246801
-
-
Rodrigo, J.G.1
-
43
-
-
0037171091
-
-
J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002).
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
-
46
-
-
22944444025
-
-
note
-
In order to reduce the computational cost, we have tried to combine a DZP basis set for the molecule with a single zeta (SZ) basis set for the leads. We found a large difference from the result of the all-DZP calculation.
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-
-
-
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-
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-
-
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-
We have performed test calculations for a system consisting of a seven-carbon-atom chain sandwiched between two Al(001) leads adopting both periodic boundary conditions (by using SIESTA package) and a cluster geometry [by using a quantum chemistry package, NWCHEM (Ref. 48)]. We found large differences between the two results.
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