-
3
-
-
33646738424
-
-
10.1103/PhysRevLett.96.196806
-
G. Heimel, L. Romaner, J.-L. Bredas, and E. Zojer, Phys. Rev. Lett. 96, 196806 (2006). 10.1103/PhysRevLett.96.196806
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 196806
-
-
Heimel, G.1
Romaner, L.2
Bredas, J.-L.3
Zojer, E.4
-
4
-
-
47149108763
-
-
10.1088/1367-2630/10/6/063020
-
A. Stroppa and G. Kresse, New J. Phys. 10, 063020 (2008). 10.1088/1367-2630/10/6/063020
-
(2008)
New J. Phys.
, vol.10
, pp. 063020
-
-
Stroppa, A.1
Kresse, G.2
-
6
-
-
0000680006
-
-
10.1016/0039-6028(77)90442-3
-
W. R. Tyson and W. A. Miller, Surf. Sci. 62, 267 (1977). 10.1016/0039-6028(77)90442-3
-
(1977)
Surf. Sci.
, vol.62
, pp. 267
-
-
Tyson, W.R.1
Miller, W.A.2
-
7
-
-
34548830416
-
Nano-faceting of fcc(1 1 0) surfaces controlled by adsorbates and atom deposition or removal
-
DOI 10.1016/j.susc.2007.07.017, PII S0039602807007893
-
R. Stumpf, Surf. Sci. 601, L115 (2007). 10.1016/j.susc.2007.07.017 (Pubitemid 47451462)
-
(2007)
Surface Science
, vol.601
, Issue.19
-
-
Stumpf, R.1
-
8
-
-
0000292607
-
-
10.1103/PhysRevB.49.16798
-
J. C. Boettger, Phys. Rev. B 49, 16798 (1994). 10.1103/PhysRevB.49.16798
-
(1994)
Phys. Rev. B
, vol.49
, pp. 16798
-
-
Boettger, J.C.1
-
10
-
-
31644435199
-
Converged properties of clean metal surfaces by all-electron first-principles calculations
-
DOI 10.1016/j.susc.2005.12.008, PII S0039602805013154
-
J. L. F. Da Silva, C. Stampfl, and M. Scheffler, Surf. Sci. 600, 703 (2006). 10.1016/j.susc.2005.12.008 (Pubitemid 43171938)
-
(2006)
Surface Science
, vol.600
, Issue.3
, pp. 703-715
-
-
Da Silva, J.L.F.1
Stampfl, C.2
Scheffler, M.3
-
11
-
-
24844469003
-
-
10.1103/PhysRevB.3.1215
-
N. D. Lang and W. Kohn, Phys. Rev. B 3, 1215 (1971). 10.1103/PhysRevB.3. 1215
-
(1971)
Phys. Rev. B
, vol.3
, pp. 1215
-
-
Lang, N.D.1
Kohn, W.2
-
13
-
-
0000611267
-
-
10.1103/PhysRevB.33.4294
-
S. Ciraci and I. P. Batra, Phys. Rev. B 33, 4294 (1986). 10.1103/PhysRevB.33.4294
-
(1986)
Phys. Rev. B
, vol.33
, pp. 4294
-
-
Ciraci, S.1
Batra, I.P.2
-
14
-
-
0012651257
-
-
10.1103/PhysRevB.66.233408
-
C. M. Wei and M. Y. Chou, Phys. Rev. B 66, 233408 (2002). 10.1103/PhysRevB.66.233408
-
(2002)
Phys. Rev. B
, vol.66
, pp. 233408
-
-
Wei, C.M.1
Chou, M.Y.2
-
18
-
-
70349568754
-
-
10.1088/0953-8984/21/39/395502
-
P. Giannozzi, 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
-
21
-
-
4243949593
-
-
10.1103/PhysRevLett.82.3296
-
N. Marzari, D. Vanderbilt, A. De Vita, and M. C. Payne, Phys. Rev. Lett. 82, 3296 (1999). 10.1103/PhysRevLett.82.3296
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 3296
-
-
Marzari, N.1
Vanderbilt, D.2
De Vita, A.3
Payne, M.C.4
-
22
-
-
0000824211
-
-
10.1103/PhysRevB.41.1227
-
A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B 41, 1227 (1990). 10.1103/PhysRevB.41.1227
-
(1990)
Phys. Rev. B
, vol.41
, pp. 1227
-
-
Rappe, A.M.1
Rabe, K.M.2
Kaxiras, E.3
Joannopoulos, J.D.4
-
23
-
-
77954700555
-
-
We used the pseudopotentials Al.pbe-rrkj.UPF, Pd.pbe-nd-rrkjus.UPF, Pt.pbe-rrkjus.UPF, and Au.pbe-d-rrkjus.UPF from the
-
We used the pseudopotentials Al.pbe-rrkj.UPF, Pd.pbe-nd-rrkjus.UPF, Pt.pbe-rrkjus.UPF, and Au.pbe-d-rrkjus.UPF from the http://www.quantum-espresso. org distribution.
-
-
-
-
24
-
-
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
-
27
-
-
0000084970
-
-
10.1103/PhysRev.118.1545
-
J. A. Rayne, Phys. Rev. 118, 1545 (1960). 10.1103/PhysRev.118.1545
-
(1960)
Phys. Rev.
, vol.118
, pp. 1545
-
-
Rayne, J.A.1
-
30
-
-
33750422155
-
-
10.1103/PhysRev.135.A482
-
E. S. Fisher and C. J. Renken, Phys. Rev. 135, A482 (1964). 10.1103/PhysRev.135.A482
-
(1964)
Phys. Rev.
, vol.135
, pp. 482
-
-
Fisher, E.S.1
Renken, C.J.2
-
31
-
-
33344462447
-
Comment on "magnetism in atomic-size palladium contacts and nanowires"
-
DOI 10.1103/PhysRevLett.96.079701, 079701
-
S. S. Alexandre, M. Mattesini, J. M. Soler, and F. Yndurain, Phys. Rev. Lett. 96, 079701 (2006). 10.1103/PhysRevLett.96.079701 (Pubitemid 43290787)
-
(2006)
Physical Review Letters
, vol.96
, Issue.7
, pp. 1
-
-
Alexandre, S.S.1
Mattesini, M.2
Soler, J.M.3
Yndurain, F.4
-
32
-
-
34248585232
-
Magnetism in coaxial palladium nanowires
-
DOI 10.1063/1.2672303
-
D. A. Stewart, J. Appl. Phys. 101, 09D503 (2007). 10.1063/1.2672303 (Pubitemid 46753212)
-
(2007)
Journal of Applied Physics
, vol.101
, Issue.9
-
-
Stewart, D.A.1
-
34
-
-
0000888324
-
-
10.1103/PhysRevB.50.4718
-
J. Burchhardt, M. M. Nielsen, D. L. Adams, E. Lundgren, and J. N. Andersen, Phys. Rev. B 50, 4718 (1994). 10.1103/PhysRevB.50.4718
-
(1994)
Phys. Rev. B
, vol.50
, pp. 4718
-
-
Burchhardt, J.1
Nielsen, M.M.2
Adams, D.L.3
Lundgren, E.4
Andersen, J.N.5
-
35
-
-
42749104802
-
-
10.1103/PhysRevB.69.235418
-
M. Borg, M. Birgersson, M. Smedh, A. Mikkelsen, D. L. Adams, R. Nyholm, C.-O. Almbladh, and J. N. Andersen, Phys. Rev. B 69, 235418 (2004). 10.1103/PhysRevB.69.235418
-
(2004)
Phys. Rev. B
, vol.69
, pp. 235418
-
-
Borg, M.1
Birgersson, M.2
Smedh, M.3
Mikkelsen, A.4
Adams, D.L.5
Nyholm, R.6
Almbladh, C.-O.7
Andersen, J.N.8
-
36
-
-
0000793551
-
-
10.1103/PhysRevB.60.5963
-
J. H. Petersen, A. Mikkelsen, M. M. Nielsen, and D. L. Adams, Phys. Rev. B 60, 5963 (1999). 10.1103/PhysRevB.60.5963
-
(1999)
Phys. Rev. B
, vol.60
, pp. 5963
-
-
Petersen, J.H.1
Mikkelsen, A.2
Nielsen, M.M.3
Adams, D.L.4
-
38
-
-
0000238026
-
-
10.1103/PhysRevB.29.4349
-
J. R. Noonan and H. L. Davis, Phys. Rev. B 29, 4349 (1984). 10.1103/PhysRevB.29.4349
-
(1984)
Phys. Rev. B
, vol.29
, pp. 4349
-
-
Noonan, J.R.1
Davis, H.L.2
-
41
-
-
0000235582
-
-
10.1103/PhysRevB.42.11348
-
J. Quinn, Y. S. Li, D. Tian, H. Li, F. Jona, and P. M. Marcus, Phys. Rev. B 42, 11348 (1990). 10.1103/PhysRevB.42.11348
-
(1990)
Phys. Rev. B
, vol.42
, pp. 11348
-
-
Quinn, J.1
Li, Y.S.2
Tian, D.3
Li, H.4
Jona, F.5
Marcus, P.M.6
-
42
-
-
36749110046
-
-
10.1063/1.440430
-
R. J. Behm, K. Christmann, G. Ertl, and M. A. V. Hove, J. Chem. Phys. 73, 2984 (1980). 10.1063/1.440430
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 2984
-
-
Behm, R.J.1
Christmann, K.2
Ertl, G.3
Hove, M.A.V.4
-
43
-
-
0002984832
-
-
10.1016/0039-6028(85)90876-3
-
C. J. Barnes, M. Q. Ding, M. Lindroos, R. D. Diehl, and D. A. King, Surf. Sci. 162, 59 (1985). 10.1016/0039-6028(85)90876-3
-
(1985)
Surf. Sci.
, vol.162
, pp. 59
-
-
Barnes, C.J.1
Ding, M.Q.2
Lindroos, M.3
Diehl, R.D.4
King, D.A.5
-
44
-
-
0000881311
-
-
10.1063/1.453495
-
M. Skottke, R. J. Behm, G. Ertl, V. Penka, and W. Moritz, J. Chem. Phys. 87, 6191 (1987). 10.1063/1.453495
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 6191
-
-
Skottke, M.1
Behm, R.J.2
Ertl, G.3
Penka, V.4
Moritz, W.5
-
46
-
-
0001424612
-
-
10.1016/0039-6028(81)90497-0
-
R. Feder, H. Pleyer, P. Bauer, and N. Muller, Surf. Sci. 109, 419 (1981). 10.1016/0039-6028(81)90497-0
-
(1981)
Surf. Sci.
, vol.109
, pp. 419
-
-
Feder, R.1
Pleyer, H.2
Bauer, P.3
Muller, N.4
-
47
-
-
0001235744
-
-
10.1016/0039-6028(79)90038-4
-
J. F. Van Der Veen, R. G. Smeenk, R. M. Tromp, and F. W. Saris, Surf. Sci. 79, 219 (1979). 10.1016/0039-6028(79)90038-4
-
(1979)
Surf. Sci.
, vol.79
, pp. 219
-
-
Van Der Veen, J.F.1
Smeenk, R.G.2
Tromp, R.M.3
Saris, F.W.4
-
48
-
-
0001853192
-
-
10.1016/0039-6028(81)90508-2
-
J. A. Davies, T. E. Jackman, D. P. Jackson, and P. R. Norton, Surf. Sci. 109, 20 (1981). 10.1016/0039-6028(81)90508-2
-
(1981)
Surf. Sci.
, vol.109
, pp. 20
-
-
Davies, J.A.1
Jackman, T.E.2
Jackson, D.P.3
Norton, P.R.4
-
52
-
-
0001563429
-
-
10.1103/PhysRevB.56.R15569
-
B. D. Yu and M. Scheffler, Phys. Rev. B 56, R15569 (1997). 10.1103/PhysRevB.56.R15569
-
(1997)
Phys. Rev. B
, vol.56
, pp. 15569
-
-
Yu, B.D.1
Scheffler, M.2
-
53
-
-
0005090839
-
-
10.1103/PhysRevB.44.6429
-
B. M. Ocko, D. Gibbs, K. G. Huang, D. M. Zehner, and S. G. J. Mochrie, Phys. Rev. B 44, 6429 (1991). 10.1103/PhysRevB.44.6429
-
(1991)
Phys. Rev. B
, vol.44
, pp. 6429
-
-
Ocko, B.M.1
Gibbs, D.2
Huang, K.G.3
Zehner, D.M.4
Mochrie, S.G.J.5
-
54
-
-
0002703962
-
-
10.1016/0013-4686(94)00246-W
-
K. Bohnen and K. Ho, Electrochim. Acta 40, 129 (1995). 10.1016/0013-4686(94)00246-W
-
(1995)
Electrochim. Acta
, vol.40
, pp. 129
-
-
Bohnen, K.1
Ho, K.2
-
55
-
-
33846371434
-
-
10.1016/0039-6028(85)90840-4
-
W. Moritz and D. Wolf, Surf. Sci. 163, L655 (1985). 10.1016/0039-6028(85) 90840-4
-
(1985)
Surf. Sci.
, vol.163
, pp. 655
-
-
Moritz, W.1
Wolf, D.2
-
57
-
-
16644395072
-
-
10.1103/PhysRevB.61.13929
-
G. Teeter and J. L. Erskine, Phys. Rev. B 61, 13929 (2000). 10.1103/PhysRevB.61.13929
-
(2000)
Phys. Rev. B
, vol.61
, pp. 13929
-
-
Teeter, G.1
Erskine, J.L.2
-
60
-
-
4243770410
-
-
10.1103/PhysRevLett.55.2168
-
G. L. Kellogg, Phys. Rev. Lett. 55, 2168 (1985). 10.1103/PhysRevLett.55. 2168
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2168
-
-
Kellogg, G.L.1
-
63
-
-
4244122465
-
-
10.1103/PhysRevLett.74.5084
-
J. Furthmüller, G. Kresse, J. Hafner, R. Stumpf, and M. Scheffler, Phys. Rev. Lett. 74, 5084 (1995). 10.1103/PhysRevLett.74.5084
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 5084
-
-
Furthmüller, J.1
Kresse, G.2
Hafner, J.3
Stumpf, R.4
Scheffler, M.5
-
65
-
-
1042265103
-
-
10.1103/PhysRevB.68.245416
-
A. Y. Lozovoi and A. Alavi, Phys. Rev. B 68, 245416 (2003). 10.1103/PhysRevB.68.245416
-
(2003)
Phys. Rev. B
, vol.68
, pp. 245416
-
-
Lozovoi, A.Y.1
Alavi, A.2
-
66
-
-
0035934276
-
An energy functional for surfaces
-
DOI 10.1063/1.1396649
-
A. E. Mattsson and W. Kohn, J. Chem. Phys. 115, 3441 (2001). 10.1063/1.1396649 (Pubitemid 32795656)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.8
, pp. 3441-3443
-
-
Mattsson, A.E.1
Kohn, W.2
-
68
-
-
41849095114
-
Restoring the density-gradient expansion for exchange in solids and surfaces
-
DOI 10.1103/PhysRevLett.100.136406
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 100, 136406 (2008). 10.1103/PhysRevLett.100.136406 (Pubitemid 351503187)
-
(2008)
Physical Review Letters
, vol.100
, Issue.13
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
69
-
-
68749089937
-
-
10.1103/PhysRevLett.103.026403
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, L. A. Constantin, and J. Sun, Phys. Rev. Lett. 103, 026403 (2009). 10.1103/PhysRevLett.103.026403
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 026403
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Constantin, L.A.4
Sun, J.5
-
70
-
-
65649139613
-
-
10.1103/PhysRevB.79.155107
-
G. I. Csonka, J. P. Perdew, A. Ruzsinszky, P. H. T. Philipsen, S. Lebègue, J. Paier, O. A. Vydrov, and J. G. Ángyán, Phys. Rev. B 79, 155107 (2009). 10.1103/PhysRevB.79.155107
-
(2009)
Phys. Rev. B
, vol.79
, pp. 155107
-
-
Csonka, G.I.1
Perdew, J.P.2
Ruzsinszky, A.3
Philipsen, P.H.T.4
Lebègue, S.5
Paier, J.6
Vydrov, O.A.7
Ángyán, J.G.8
-
76
-
-
0019077990
-
UV-Photoelectron spectroscopy from xenon adsorbed on heteroeneous metal surfaces
-
DOI 10.1016/0378-5963(80)90028-8
-
J. Hulse, J. Küppers, K. Wandelt, and G. Ertl, Appl. Surf. Sci. 6, 453 (1980). 10.1016/0378-5963(80)90028-8 (Pubitemid 12428173)
-
(1980)
Applications of surface science
, vol.6
, Issue.3-4
, pp. 453-463
-
-
Hulse, J.1
Kueppers, J.2
Wandelt, K.3
Ertl, G.4
-
78
-
-
0348082186
-
-
10.1103/PhysRevB.28.6758
-
M. Salmerón, S. Ferrer, M. Jazzar, and G. A. Somorjai, Phys. Rev. B 28, 6758 (1983). 10.1103/PhysRevB.28.6758
-
(1983)
Phys. Rev. B
, vol.28
, pp. 6758
-
-
Salmerón, M.1
Ferrer, S.2
Jazzar, M.3
Somorjai, G.A.4
-
79
-
-
0003240052
-
-
10.1103/PhysRevB.39.1940
-
G. N. Derry and Ji-Zhong Zhang, Phys. Rev. B 39, 1940 (1989). 10.1103/PhysRevB.39.1940
-
(1989)
Phys. Rev. B
, vol.39
, pp. 1940
-
-
Derry, G.N.1
Zhang, J.2
-
80
-
-
0026839710
-
-
10.1016/0039-6028(92)90154-X
-
R. Vanselow and X. Li, Surf. Sci. 264, L200 (1992). 10.1016/0039-6028(92) 90154-X
-
(1992)
Surf. Sci.
, vol.264
, pp. 200
-
-
Vanselow, R.1
Li, X.2
-
83
-
-
0014812249
-
-
10.1103/PhysRevB.2.1
-
D. E. Eastman, Phys. Rev. B 2, 1 (1970). 10.1103/PhysRevB.2.1
-
(1970)
Phys. Rev. B
, vol.2
, pp. 1
-
-
Eastman, D.E.1
|