-
3
-
-
0038442872
-
-
For reviews, 10.1126/science.1081572;
-
For reviews, A. Nitzan and M. A. Ratner, Science 300, 1384 (2003) 10.1126/science.1081572
-
(2003)
Science
, vol.300
, pp. 1384
-
-
Nitzan, A.1
Ratner, M.A.2
-
4
-
-
38949169781
-
-
10.1088/0953-8984/20/8/083203
-
M. Koentopp, C. Chang, K. Burke, and R. Car, J. Phys.: Condens. Matter 20, 083203 (2008) and references therein. 10.1088/0953-8984/20/8/083203
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, pp. 083203
-
-
Koentopp, M.1
Chang, C.2
Burke, K.3
Car, R.4
-
5
-
-
2842602678
-
-
10.1103/PhysRevB.53.R7626
-
M. P. Samanta, W. Tian, S. Datta, J. I. Henderson, and C. P. Kubiak, Phys. Rev. B 53, R7626 (1996). 10.1103/PhysRevB.53.R7626
-
(1996)
Phys. Rev. B
, vol.53
, pp. 7626
-
-
Samanta, M.P.1
Tian, W.2
Datta, S.3
Henderson, J.I.4
Kubiak, C.P.5
-
6
-
-
42049111255
-
-
10.1103/PhysRevB.77.155312
-
F. Pauly, J. K. Viljas, J. C. Cuevas, and G. Schon, Phys. Rev. B 77, 155312 (2008). 10.1103/PhysRevB.77.155312
-
(2008)
Phys. Rev. B
, vol.77
, pp. 155312
-
-
Pauly, F.1
Viljas, J.K.2
Cuevas, J.C.3
Schon, G.4
-
7
-
-
39349117338
-
-
10.1063/1.2828531
-
H. Kondo, J. Nara, H. Kino, and T. Ohno, J. Chem. Phys. 128, 064701 (2008). 10.1063/1.2828531
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 064701
-
-
Kondo, H.1
Nara, J.2
Kino, H.3
Ohno, T.4
-
8
-
-
55049123737
-
-
10.1143/JJAP.47.4792
-
H. Kondo, J. Nara, H. Kino, and T. Ohno, Jpn. J. Appl. Phys. 47, 4792 (2008). 10.1143/JJAP.47.4792
-
(2008)
Jpn. J. Appl. Phys.
, vol.47
, pp. 4792
-
-
Kondo, H.1
Nara, J.2
Kino, H.3
Ohno, T.4
-
9
-
-
0036733946
-
-
10.1002/1521-3951(200209)233:1<59::AID-PSSB59>3.0.CO;2-6;
-
J. K. Tomfohr and O. F. Sankey, Phys. Status Solidi 233, 59 (2002) 10.1002/1521-3951(200209)233:1<59::AID-PSSB59>3.0.CO;2-6
-
(2002)
Phys. Status Solidi
, vol.233
, pp. 59
-
-
Tomfohr, J.K.1
Sankey, O.F.2
-
11
-
-
77954872604
-
-
The ASCOT code is developed within the RISS project supported by MEXT of the Japanese government. For the detail of this code, see Ref..
-
The ASCOT code is developed within the RISS project supported by MEXT of the Japanese government. For the detail of this code, see Ref..
-
-
-
-
12
-
-
0037495068
-
-
10.1103/PhysRevB.67.155108
-
T. Ozaki, Phys. Rev. B 67, 155108 (2003). 10.1103/PhysRevB.67.155108
-
(2003)
Phys. Rev. B
, vol.67
, pp. 155108
-
-
Ozaki, T.1
-
13
-
-
33645898818
-
-
10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
16
-
-
77954874804
-
-
M. J. Frisch, Gaussian, Inc., Wallingford CT, 2004
-
M. J. Frisch, Gaussian, Inc., Wallingford CT, 2004.
-
-
-
-
17
-
-
77954877432
-
-
The name of each MO, such as π1 -B (A), indicates the name of a constituent MO of a half fragment ( C6 H4 S ) of an S-BP-S molecule and the bonding (B) or antibonding (A) state. The details of this naming system are given in Refs..
-
The name of each MO, such as π 1 - B (A), indicates the name of a constituent MO of a half fragment (C 6 H 4 S) of an S-BP-S molecule and the bonding (B) or antibonding (A) state. The details of this naming system are given in Refs..
-
-
-
-
18
-
-
33745093785
-
-
10.1103/PhysRevB.73.235323
-
H. Kondo, H. Kino, J. Nara, T. Ozaki, and T. Ohno, Phys. Rev. B 73, 235323 (2006). 10.1103/PhysRevB.73.235323
-
(2006)
Phys. Rev. B
, vol.73
, pp. 235323
-
-
Kondo, H.1
Kino, H.2
Nara, J.3
Ozaki, T.4
Ohno, T.5
-
19
-
-
77954869043
-
-
Tpp is the transmission peak value, when the peak has a contribution from only one MO. However, when the transmission peak arises from several MOs, the contribution from an individual MO cannot be definitely determined.
-
T pp is the transmission peak value, when the peak has a contribution from only one MO. However, when the transmission peak arises from several MOs, the contribution from an individual MO cannot be definitely determined.
-
-
-
-
20
-
-
20144367346
-
-
10.1103/PhysRevB.71.115413
-
H. Kondo, H. Kino, and T. Ohno, Phys. Rev. B 71, 115413 (2005). 10.1103/PhysRevB.71.115413
-
(2005)
Phys. Rev. B
, vol.71
, pp. 115413
-
-
Kondo, H.1
Kino, H.2
Ohno, T.3
-
21
-
-
77954879409
-
-
This arises from the fact that each MO of an S-BP-S molecule is composed of two same types of fragment MOs and mixing of different types of fragment MOs is quite small. For details, see Refs..
-
This arises from the fact that each MO of an S-BP-S molecule is composed of two same types of fragment MOs and mixing of different types of fragment MOs is quite small. For details, see Refs..
-
-
-
-
22
-
-
77954881134
-
-
J. Heurich, F. Pauly, J. C. Cuevas, W. Wenzel, and G. Schön, arXiv:cond-mat/0211635 (unpublished)
-
J. Heurich, F. Pauly, J. C. Cuevas, W. Wenzel, and G. Schön, arXiv:cond-mat/0211635 (unpublished)
-
-
-
-
23
-
-
0042824119
-
-
10.1088/0957-4484/14/8/201;
-
J. C. Cuevas, J. Heurich, F. Pauly, W. Wenzel, and G. Schön, Nanotechnology 14, R29 (2003) 10.1088/0957-4484/14/8/201
-
(2003)
Nanotechnology
, vol.14
, pp. 29
-
-
Cuevas, J.C.1
Heurich, J.2
Pauly, F.3
Wenzel, W.4
Schön, G.5
-
25
-
-
42549108185
-
-
10.1103/PhysRevLett.100.166804;
-
K. S. Thygesen, Phys. Rev. Lett. 100, 166804 (2008) 10.1103/PhysRevLett. 100.166804
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 166804
-
-
Thygesen, K.S.1
-
26
-
-
79051468883
-
-
10.1209/0295-5075/84/67001
-
P. Myöhänen, A. Stan, G. Stefanucci, and R. van Leeuwen, Europhys. Lett. 84, 67001 (2008). 10.1209/0295-5075/84/67001
-
(2008)
Europhys. Lett.
, vol.84
, pp. 67001
-
-
Myöhänen, P.1
Stan, A.2
Stefanucci, G.3
Van Leeuwen, R.4
-
27
-
-
77954879310
-
-
This assumption does not have any qualitative influence on the discussion.
-
This assumption does not have any qualitative influence on the discussion.
-
-
-
-
28
-
-
77954879963
-
-
Tpp for the π1 -B type MO is evaluated to be slightly larger than T pp m. This is because the π0 -A type MO partially contributes to Tpp evaluated for the π1 -B type MO.
-
T pp for the π 1 -B type MO is evaluated to be slightly larger than T pp m. This is because the π 0 -A type MO partially contributes to T pp evaluated for the π 1 -B type MO.
-
-
-
-
29
-
-
63649120251
-
-
10.1088/0953-8984/21/6/064220
-
H. Kondo, J. Nara, H. Kino, and T. Ohno, J. Phys.: Condens. Matter 21, 064220 (2009). 10.1088/0953-8984/21/6/064220
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 064220
-
-
Kondo, H.1
Nara, J.2
Kino, H.3
Ohno, T.4
-
31
-
-
8444251756
-
-
For experimental reviews, 10.1021/cm049517q;
-
For experimental reviews, R. L. McCreery, Chem. Mater. 16, 4477 (2004) 10.1021/cm049517q
-
(2004)
Chem. Mater.
, vol.16
, pp. 4477
-
-
McCreery, R.L.1
-
32
-
-
8444235418
-
-
10.1021/cm049648r
-
D. K. James and J. M. Tour, Chem. Mater. 16, 4423 (2004) and references therein. 10.1021/cm049648r
-
(2004)
Chem. Mater.
, vol.16
, pp. 4423
-
-
James, D.K.1
Tour, J.M.2
-
33
-
-
0037828770
-
-
For example 10.1063/1.1574844
-
For example, J. Reichert, H. B. Weber, M. Mayor, and H. v. Löhneysen, Appl. Phys. Lett. 82, 4137 (2003). 10.1063/1.1574844
-
(2003)
Appl. Phys. Lett.
, vol.82
, pp. 4137
-
-
Reichert, J.1
Weber, H.B.2
Mayor, M.3
Löhneysen H, V.4
|