-
2
-
-
0242607010
-
-
10.1002/cphc.200300835
-
G. Pacchioni, ChemPhysChem 4, 1041 (2003). 10.1002/cphc.200300835
-
(2003)
ChemPhysChem
, vol.4
, pp. 1041
-
-
Pacchioni, G.1
-
3
-
-
18344418439
-
-
10.1103/PhysRevLett.92.206101
-
F. Calleja, A. Arnau, J. J. Hinarejos, A. L. Vázquez de Parga, W. A. Hofer, P. M. Echenique, and R. Miranda, Phys. Rev. Lett. 92, 206101 (2004). 10.1103/PhysRevLett.92.206101
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 206101
-
-
Calleja, F.1
Arnau, A.2
Hinarejos, J.J.3
Vázquez De Parga, A.L.4
Hofer, W.A.5
Echenique, P.M.6
Miranda, R.7
-
4
-
-
0037449539
-
-
10.1126/science.1078962
-
R. Schaub, E. Wahlstrom, A. Ronnau, E. Lagsgaard, I. Stensgaard, and F. Besenbacher, Science 299, 377 (2003). 10.1126/science.1078962
-
(2003)
Science
, vol.299
, pp. 377
-
-
Schaub, R.1
Wahlstrom, E.2
Ronnau, A.3
Lagsgaard, E.4
Stensgaard, I.5
Besenbacher, F.6
-
5
-
-
0001151605
-
-
10.1103/PhysRevB.55.7859
-
M. R. Castell, P. L. Wincott, N. G. Condon, C. Muggelberg, G. Thornton, S. L. Dudarev, A. P. Sutton, and G. A. D. Briggs, Phys. Rev. B 55, 7859 (1997). 10.1103/PhysRevB.55.7859
-
(1997)
Phys. Rev. B
, vol.55
, pp. 7859
-
-
Castell, M.R.1
Wincott, P.L.2
Condon, N.G.3
Muggelberg, C.4
Thornton, G.5
Dudarev, S.L.6
Sutton, A.P.7
Briggs, G.A.D.8
-
7
-
-
0001390080
-
-
10.1088/0034-4885/59/12/004
-
F. Besenbacher, Rep. Prog. Phys. 59, 1737 (1996). 10.1088/0034-4885/59/ 12/004
-
(1996)
Rep. Prog. Phys.
, vol.59
, pp. 1737
-
-
Besenbacher, F.1
-
8
-
-
0034316688
-
-
10.1016/S0039-6028(00)00821-9
-
W. A. Hofer, J. Redinger, A. Biedermann, and P. Varga, Surf. Sci. 466, L795 (2000). 10.1016/S0039-6028(00)00821-9
-
(2000)
Surf. Sci.
, vol.466
, pp. 795
-
-
Hofer, W.A.1
Redinger, J.2
Biedermann, A.3
Varga, P.4
-
9
-
-
34548034932
-
-
10.1103/PhysRevB.76.075416
-
L. Giordano, G. Pacchioni, J. Goniakowski, N. Nilius, E. D. L. Rienks, and H.-J. Freund, Phys. Rev. B 76, 075416 (2007). 10.1103/PhysRevB.76.075416
-
(2007)
Phys. Rev. B
, vol.76
, pp. 075416
-
-
Giordano, L.1
Pacchioni, G.2
Goniakowski, J.3
Nilius, N.4
Rienks, E.D.L.5
Freund, H.-J.6
-
10
-
-
0001464523
-
-
10.1103/PhysRevB.16.5271
-
K. O. Legg, F. Jona, D. W. Jepsen, and P. M. Marcus, Phys. Rev. B 16, 5271 (1977). 10.1103/PhysRevB.16.5271
-
(1977)
Phys. Rev. B
, vol.16
, pp. 5271
-
-
Legg, K.O.1
Jona, F.2
Jepsen, D.W.3
Marcus, P.M.4
-
12
-
-
0000629735
-
-
10.1103/PhysRevB.39.5713
-
R. L. Headrick, P. Konarski, S. M. Yalisove, and W. R. Graham, Phys. Rev. B 39, 5713 (1989). 10.1103/PhysRevB.39.5713
-
(1989)
Phys. Rev. B
, vol.39
, pp. 5713
-
-
Headrick, R.L.1
Konarski, P.2
Yalisove, S.M.3
Graham, W.R.4
-
15
-
-
0000604263
-
-
10.1103/PhysRevLett.83.4868
-
F. Bisio, R. Moroni, M. Canepa, L. Mattera, R. Bertacco, and F. Ciccacci, Phys. Rev. Lett. 83, 4868 (1999). 10.1103/PhysRevLett.83.4868
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 4868
-
-
Bisio, F.1
Moroni, R.2
Canepa, M.3
Mattera, L.4
Bertacco, R.5
Ciccacci, F.6
-
17
-
-
20544463457
-
-
10.1103/PhysRevB.41.7892
-
D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
18
-
-
70349568754
-
-
10.1088/0953-8984/21/39/395502;
-
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, J. Phys.: Condens. Matter 21, 395502 (2009) 10.1088/0953-8984/21/39/395502
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
-
19
-
-
77955058865
-
-
http://www.quantum-espresso.org
-
-
-
-
21
-
-
77955068637
-
-
A moderately large bias allows one to obtain numerically stable results already for thin slabs. We have verified, for the Fe (001 ) -p (1×1 ) O surface modeled by a thicker (15 layers) slab, that qualitatively equivalent results are obtained when smaller (positive or negative) biases are applied.
-
A moderately large bias allows one to obtain numerically stable results already for thin slabs. We have verified, for the Fe (001) - p (1 × 1) O surface modeled by a thicker (15 layers) slab, that qualitatively equivalent results are obtained when smaller (positive or negative) biases are applied.
-
-
-
-
22
-
-
0000589240
-
-
10.1103/PhysRevB.31.2602
-
A. Selloni, P. Carnevali, E. Tosatti, and C. D. Chen, Phys. Rev. B 31, 2602 (1985). 10.1103/PhysRevB.31.2602
-
(1985)
Phys. Rev. B
, vol.31
, pp. 2602
-
-
Selloni, A.1
Carnevali, P.2
Tosatti, E.3
Chen, C.D.4
-
23
-
-
26344468999
-
-
10.1103/PhysRevB.34.5947
-
N. D. Lang, Phys. Rev. B 34, 5947 (1986). 10.1103/PhysRevB.34.5947
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5947
-
-
Lang, N.D.1
-
24
-
-
0000175633
-
-
10.1103/PhysRevLett.75.2960
-
J. A. Stroscio, D. T. Pierce, A. Davies, R. J. Celotta, and M. Weinert, Phys. Rev. Lett. 75, 2960 (1995). 10.1103/PhysRevLett.75.2960
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 2960
-
-
Stroscio, J.A.1
Pierce, D.T.2
Davies, A.3
Celotta, R.J.4
Weinert, M.5
-
25
-
-
67649406441
-
-
10.1103/PhysRevB.79.195430
-
F. Donati, P. Sessi, S. Achilli, A. Li Bassi, M. Passoni, C. S. Casari, C. E. Bottani, A. Brambilla, A. Picone, M. Finazzi, L. Duò, M. I. Trioni, and F. Ciccacci, Phys. Rev. B 79, 195430 (2009). 10.1103/PhysRevB.79.195430
-
(2009)
Phys. Rev. B
, vol.79
, pp. 195430
-
-
Donati, F.1
Sessi, P.2
Achilli, S.3
Li Bassi, A.4
Passoni, M.5
Casari, C.S.6
Bottani, C.E.7
Brambilla, A.8
Picone, A.9
Finazzi, M.10
Duò, L.11
Trioni, M.I.12
Ciccacci, F.13
-
28
-
-
16444378435
-
-
10.1063/1.1747632
-
P.-O. Löwdin, J. Chem. Phys. 18, 365 (1950). 10.1063/1.1747632
-
(1950)
J. Chem. Phys.
, vol.18
, pp. 365
-
-
Löwdin, P.-O.1
|