-
1
-
-
0036571188
-
-
10.1016/S0167-5729(01)00020-6
-
M. A. Henderson, Surf. Sci. Rep. 46, 1 (2002). 10.1016/S0167-5729(01) 00020-6
-
(2002)
Surf. Sci. Rep.
, vol.46
, pp. 1
-
-
Henderson, M.A.1
-
3
-
-
0036166063
-
3(100) surfaces
-
DOI 10.1116/1.1430246
-
L.-Q. Wang, K. F. Ferris, and G. S. Herman, J. Vac. Sci. Technol. A 20, 239 (2002). 10.1116/1.1430246 (Pubitemid 34138352)
-
(2002)
Journal of Vacuum Science and Technology, Part A: Vacuum, Surfaces and Films
, vol.20
, Issue.1
, pp. 239-244
-
-
Wang, L.-Q.1
Ferris, K.F.2
Herman, G.S.3
-
4
-
-
0000426395
-
-
10.1016/0039-6028(86)90366-3
-
I. W. Owen, N. B. Brookes, C. H. Richardson, D. R. Warburton, F. M. Quinn, D. Norman, and G. Thornton, Surf. Sci. 178, 897 (1986). 10.1016/0039-6028(86)90366-3
-
(1986)
Surf. Sci.
, vol.178
, pp. 897
-
-
Owen, I.W.1
Brookes, N.B.2
Richardson, C.H.3
Warburton, D.R.4
Quinn, F.M.5
Norman, D.6
Thornton, G.7
-
5
-
-
0000215918
-
-
10.1016/S0584-8539(87)80043-0
-
S. Eriksen, P. D. Naylor, and R. G. Egdell, Spectrochim. Acta, Part A 43, 1535 (1987). 10.1016/S0584-8539(87)80043-0
-
(1987)
Spectrochim. Acta, Part A
, vol.43
, pp. 1535
-
-
Eriksen, S.1
Naylor, P.D.2
Egdell, R.G.3
-
6
-
-
0000464098
-
Local determination of the stacking sequence of layered materials
-
DOI 10.1063/1.121155, PII S0003695198019147
-
J. Fompeyrine, R. Berger, H. P. Lang, J. Perret, E. Mächler, Ch. Gerber, and J.-P. Locquet, Appl. Phys. Lett. 72, 1697 (1998). 10.1063/1.121155 (Pubitemid 128671432)
-
(1998)
Applied Physics Letters
, vol.72
, Issue.14
, pp. 1697-1699
-
-
Fompeyrine, J.1
Berger, R.2
Lang, H.P.3
Perret, J.4
Machler, E.5
Gerber, Ch.6
Locquet, J.-P.7
-
7
-
-
0000411451
-
-
10.1063/1.1328065
-
K. Iwahori, S. Watanabe, M. Kawai, K. Mizuno, K. Sasaki, and M. Yoshimoto, J. Appl. Phys. 88, 7099 (2000). 10.1063/1.1328065
-
(2000)
J. Appl. Phys.
, vol.88
, pp. 7099
-
-
Iwahori, K.1
Watanabe, S.2
Kawai, M.3
Mizuno, K.4
Sasaki, K.5
Yoshimoto, M.6
-
8
-
-
0141745936
-
-
10.1063/1.1596370
-
S. Shiraki, M. Nantoh, M. Wakatsuchi, and M. Kawai, J. Appl. Phys. 94, 3082 (2003). 10.1063/1.1596370
-
(2003)
J. Appl. Phys.
, vol.94
, pp. 3082
-
-
Shiraki, S.1
Nantoh, M.2
Wakatsuchi, M.3
Kawai, M.4
-
9
-
-
77951446014
-
-
10.1039/b924227a
-
M. Paradinas, L. Garzón, F. Sánchez, R. Bachelet, D. B. Amabilino, J. Fontcuberta, and C. Ocal, Phys. Chem. Chem. Phys. 12, 4452 (2010). 10.1039/b924227a
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 4452
-
-
Paradinas, M.1
Garzón, L.2
Sánchez, F.3
Bachelet, R.4
Amabilino, D.B.5
Fontcuberta, J.6
Ocal, C.7
-
10
-
-
0037444833
-
-
10.1063/1.1540223
-
K. Iwahori, S. Watanabe, M. Kawai, K. Kobayashi, H. Yamada, and K. Matsushige, J. Appl. Phys. 93, 3223 (2003). 10.1063/1.1540223
-
(2003)
J. Appl. Phys.
, vol.93
, pp. 3223
-
-
Iwahori, K.1
Watanabe, S.2
Kawai, M.3
Kobayashi, K.4
Yamada, H.5
Matsushige, K.6
-
11
-
-
15944407620
-
-
10.1021/jp048338t
-
L.-Q. Wang, K. F. Ferris, S. Azad, and M. H. Engelhard, J. Phys. Chem. B 109, 4507 (2005). 10.1021/jp048338t
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 4507
-
-
Wang, L.-Q.1
Ferris, K.F.2
Azad, S.3
Engelhard, M.H.4
-
12
-
-
34147142511
-
3 cubic perovskites: Hybrid HF-DFT LCAO calculations
-
DOI 10.1016/j.susc.2007.02.010, PII S0039602807001392
-
R. A. Evarestov, A. V. Bandura, and V. E. Alexandrov, Surf. Sci. 601, 1844 (2007). The numbers cited in Tables include a correction of 0.12 eV for the basis set superposition error as estimated by the authors. 10.1016/j.susc.2007. 02.010 (Pubitemid 46566450)
-
(2007)
Surface Science
, vol.601
, Issue.8
, pp. 1844-1856
-
-
Evarestov, R.A.1
Bandura, A.V.2
Alexandrov, V.E.3
-
13
-
-
70349307406
-
-
10.1063/1.3169654
-
J. D. Baniecki, M. Ishii, K. Kurihara, K. Yamanaka, T. Yano, K. Shinozaki, T. Imada, and Y. Kobayashi, J. Appl. Phys. 106, 054109 (2009). 10.1063/1.3169654
-
(2009)
J. Appl. Phys.
, vol.106
, pp. 054109
-
-
Baniecki, J.D.1
Ishii, M.2
Kurihara, K.3
Yamanaka, K.4
Yano, T.5
Shinozaki, K.6
Imada, T.7
Kobayashi, Y.8
-
14
-
-
20144380685
-
First principles methods using CASTEP
-
DOI 10.1524/zkri.220.5.567.65075
-
S. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. I. J. Probert, K. Refson, and M. C. Payne, Z. Kristallogr. 220, 567 (2005). 10.1524/zkri.220.5. 567.65075 (Pubitemid 40778242)
-
(2005)
Zeitschrift fur Kristallographie
, vol.220
, Issue.5-6
, pp. 567-570
-
-
Clark, S.J.1
Segall, M.D.2
Pickard, C.J.3
Hasnip, P.J.4
Probert, M.I.J.5
Refson, K.6
Payne, M.C.7
-
15
-
-
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
-
17
-
-
0142055513
-
-
10.1016/0167-5729(87)90001-X
-
P. A. Thiel and T. E. Madey, Surf. Sci. Rep. 7, 211 (1987). 10.1016/0167-5729(87)90001-X
-
(1987)
Surf. Sci. Rep.
, vol.7
, pp. 211
-
-
Thiel, P.A.1
Madey, T.E.2
-
18
-
-
1842816907
-
-
10.1103/PhysRevB.13.5188
-
H. Monkhorst and J. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.1
Pack, J.2
-
19
-
-
0034513054
-
Climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
DOI 10.1063/1.1329672
-
B. P. Henkelman, G. Uberuaga, and H. Jonsson, J. Chem. Phys. 113, 9901 (2000). 10.1063/1.1329672 (Pubitemid 32076883)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.22
, pp. 9901-9904
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jonsson, H.3
-
20
-
-
0036572216
-
An object-oriented scripting interface to a legacy electronic structure code
-
DOI 10.1109/5992.998641
-
S. R. Bahn and K. W. Jacobsen, Comput. Sci. Eng. 4, 56 (2002). 10.1109/5992.998641 (Pubitemid 34562758)
-
(2002)
Computing in Science and Engineering
, vol.4
, Issue.3
, pp. 56-66
-
-
Bahn, S.R.1
Jacobsen, K.W.2
-
21
-
-
54849426021
-
-
10.1063/1.2996362
-
E. Finazzi, C. DiValentin, G. Pacchioni, and A. Selloni, J. Chem. Phys. 129, 154113 (2008). 10.1063/1.2996362
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 154113
-
-
Finazzi, E.1
Divalentin, C.2
Pacchioni, G.3
Selloni, A.4
-
22
-
-
40749096832
-
Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces
-
DOI 10.1103/PhysRevLett.100.016101
-
J. Carrasco, F. Illas, and N. Lopez, Phys. Rev. Lett. 100, 016101 (2008). 10.1103/PhysRevLett.100.016101 (Pubitemid 351388320)
-
(2008)
Physical Review Letters
, vol.100
, Issue.1
, pp. 016101
-
-
Carrasco, J.1
Illas, F.2
Lopez, N.3
-
25
-
-
0000448338
-
-
10.1103/PhysRevB.46.9199
-
T. L. Barr and C. R. Brundle, Phys. Rev. B 46, 9199 (1992). 10.1103/PhysRevB.46.9199
-
(1992)
Phys. Rev. B
, vol.46
, pp. 9199
-
-
Barr, T.L.1
Brundle, C.R.2
-
26
-
-
0141805874
-
3
-
DOI 10.1016/S0167-2738(99)00156-3
-
W. Münch, K.-D. Kreuer, G. Seifertli, and J. Majer, Solid State Ionics 125, 39 (1999). 10.1016/S0167-2738(99)00156-3 (Pubitemid 30501682)
-
(1999)
Solid State Ionics
, vol.125
, Issue.1
, pp. 39-45
-
-
Munch, W.1
Kreuer, K.-D.2
Seifertli, G.3
Majer, J.4
-
27
-
-
18244399822
-
-
10.4028/www.scientific.net/MSF.10-12.25
-
C. M. Weinert and M. Scheffler, Mat. Sci. Forum 10-12, 25 (1986). 10.4028/www.scientific.net/MSF.10-12.25
-
(1986)
Mat. Sci. Forum
, vol.10-12
, pp. 25
-
-
Weinert, C.M.1
Scheffler, M.2
-
30
-
-
33744645484
-
-
10.1103/PhysRevB.35.9625
-
E. Kaxiras, Y. Bar-Yam, J. D. Joannopoulos, and K. C. Pandey, Phys. Rev. B 35, 9625 (1987). 10.1103/PhysRevB.35.9625
-
(1987)
Phys. Rev. B
, vol.35
, pp. 9625
-
-
Kaxiras, E.1
Bar-Yam, Y.2
Joannopoulos, J.D.3
Pandey, K.C.4
-
32
-
-
0037080586
-
-
10.1103/PhysRevB.65.035406
-
K. Reuter and M. Scheffler, Phys. Rev. B 65, 035406 (2001). 10.1103/PhysRevB.65.035406
-
(2001)
Phys. Rev. B
, vol.65
, pp. 035406
-
-
Reuter, K.1
Scheffler, M.2
-
34
-
-
1642577314
-
-
2nd ed. (U.S. National Bureau of Standards, Washington, D.C.
-
D. R. Stull and H. Prophet, JANAF Thermochemical Tables, 2nd ed. (U.S. National Bureau of Standards, Washington, D.C., 1971).
-
(1971)
JANAF Thermochemical Tables
-
-
Stull, D.R.1
Prophet, H.2
-
35
-
-
0141993767
-
-
10.1016/j.susc.2003.08.036
-
H. S. Kato, S. Shiraki, M. Nantoh, and M. Kawai, Surf. Sci. 544, L722 (2003). 10.1016/j.susc.2003.08.036
-
(2003)
Surf. Sci.
, vol.544
, pp. 722
-
-
Kato, H.S.1
Shiraki, S.2
Nantoh, M.3
Kawai, M.4
-
37
-
-
0000388736
-
-
10.1063/1.357574
-
T. W. Simpson, J. C. Mitchell, I. V. McCallum, and L. A. Boatner, J. Appl. Phys. 76, 2711 (1994). 10.1063/1.357574
-
(1994)
J. Appl. Phys.
, vol.76
, pp. 2711
-
-
Simpson, T.W.1
Mitchell, J.C.2
McCallum, I.V.3
Boatner, L.A.4
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