-
1
-
-
0000972111
-
-
Freund, H.-J.; Kuhlenbeck, H.; Staemmler, V. Rep. Prog. Phys. 1996, 59, 283
-
(1996)
Rep. Prog. Phys.
, vol.59
, pp. 283
-
-
Freund, H.-J.1
Kuhlenbeck, H.2
Staemmler, V.3
-
2
-
-
67649256052
-
-
Tsuchiya, M.; Sankaranarayanan, S. K.; Ramanathan, S. Prog. Mater. Sci. 2009, 54, 981-1057
-
(2009)
Prog. Mater. Sci.
, vol.54
, pp. 981-1057
-
-
Tsuchiya, M.1
Sankaranarayanan, S.K.2
Ramanathan, S.3
-
6
-
-
0032606530
-
-
Campbell, T.; Kalia, R. K.; Nakano, A.; Vashishta, P.; Ogata, S.; Rodgers, S. Phys. Rev. Lett. 1999, 82, 4866-4869
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 4866-4869
-
-
Campbell, T.1
Kalia, R.K.2
Nakano, A.3
Vashishta, P.4
Ogata, S.5
Rodgers, S.6
-
7
-
-
12344300636
-
-
Alavi, S.; Mintmire, J. W.; Thompson, D. L. J. Phys. Chem. B 2005, 109, 209-214
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 209-214
-
-
Alavi, S.1
Mintmire, J.W.2
Thompson, D.L.3
-
8
-
-
1442337236
-
-
Zhou, X. W.; Wadley, H. N. G.; Filhol, J.-S.; Neurock, M. N. Phys. Rev. B 2004, 69, 035402
-
(2004)
Phys. Rev. B
, vol.69
, pp. 035402
-
-
Zhou, X.W.1
Wadley, H.N.G.2
Filhol, J.-S.3
Neurock, M.N.4
-
10
-
-
14744276360
-
-
Hasnaoui, A.; Politano, O.; Salazar, J.; Aral, G.; Kalia, R.; Nakano, A.; Vashishta, P. Surf. Sci. 2005, 579, 47-57
-
(2005)
Surf. Sci.
, vol.579
, pp. 47-57
-
-
Hasnaoui, A.1
Politano, O.2
Salazar, J.3
Aral, G.4
Kalia, R.5
Nakano, A.6
Vashishta, P.7
-
11
-
-
74149084083
-
-
Perron, A.; Garruchet, S.; Politano, O.; Aral, G.; Vignal, V. J. Phys. Chem. Solids 2010, 71, 119-124
-
(2010)
J. Phys. Chem. Solids
, vol.71
, pp. 119-124
-
-
Perron, A.1
Garruchet, S.2
Politano, O.3
Aral, G.4
Vignal, V.5
-
13
-
-
77954932783
-
-
Chang, C.-L.; Sankaranarayanan, S. K. R. S.; Ruzmetov, D.; Engelhard, M. H.; Kaxiras, E.; Ramanathan, S. Phys. Rev. B 2010, 81, 085406
-
(2010)
Phys. Rev. B
, vol.81
, pp. 085406
-
-
Chang, C.-L.1
Sankaranarayanan, S.K.R.S.2
Ruzmetov, D.3
Engelhard, M.H.4
Kaxiras, E.5
Ramanathan, S.6
-
14
-
-
74049131030
-
-
Georgieva, V.; Todorov, I. T.; Bogaerts, A. Chem. Phys. Lett. 2010, 485, 315-319
-
(2010)
Chem. Phys. Lett.
, vol.485
, pp. 315-319
-
-
Georgieva, V.1
Todorov, I.T.2
Bogaerts, A.3
-
15
-
-
0034225448
-
-
Lozovoi, A. Y.; Alavi, A.; Finnis, M. W. Phys. Rev. Lett. 2000, 85, 610-613
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 610-613
-
-
Lozovoi, A.Y.1
Alavi, A.2
Finnis, M.W.3
-
16
-
-
20444392081
-
-
Kresse, G.; Schmid, M.; Napetschnig, E.; Shishkin, M.; Kohler, L.; Varga, P. Science 2005, 308, 1440-1442
-
(2005)
Science
, vol.308
, pp. 1440-1442
-
-
Kresse, G.1
Schmid, M.2
Napetschnig, E.3
Shishkin, M.4
Kohler, L.5
Varga, P.6
-
17
-
-
67649971028
-
-
Islam, M. M.; Diawara, B.; Maurice, V.; Marcus, P. J. Phys. Chem. C 2009, 113, 9978-9981
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 9978-9981
-
-
Islam, M.M.1
Diawara, B.2
Maurice, V.3
Marcus, P.4
-
18
-
-
33645961739
-
-
Essmann, U.; Perera, L.; Berkowitz, M.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577-8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
22
-
-
0004161838
-
-
2nd ed.; Cambridge University Press: New York.
-
Press, W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes in Fortran: the Art of Scientific Computing, 2nd ed.; Cambridge University Press: New York, 1992.
-
(1992)
Numerical Recipes in Fortran: The Art of Scientific Computing
-
-
Press, W.H.1
Flannery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
-
28
-
-
38049080729
-
-
(See also.)
-
Takahashi, D. Lect. Notes Comput. Sci. 2007, 4699/2007, 1178-1187 (See also http://www.ffte.jp.)
-
(2007)
Lect. Notes Comput. Sci.
, vol.4699
, pp. 1178-1187
-
-
Takahashi, D.1
-
29
-
-
63149163694
-
-
Sankaranarayanan, S. K. R. S.; Kaxiras, E.; Ramanathan, S. Phys. Rev. Lett. 2009, 102, 095504
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 095504
-
-
Sankaranarayanan, S.K.R.S.1
Kaxiras, E.2
Ramanathan, S.3
-
30
-
-
5744249209
-
-
Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087-1092
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 1087-1092
-
-
Metropolis, N.1
Rosenbluth, A.W.2
Rosenbluth, M.N.3
Teller, A.H.4
Teller, E.5
-
31
-
-
27744558815
-
-
Wang, G.; Hove, M. V.; Ross, P.; Baskes, M. Prog. Surf. Sci. 2005, 79, 28-45
-
(2005)
Prog. Surf. Sci.
, vol.79
, pp. 28-45
-
-
Wang, G.1
Hove, M.V.2
Ross, P.3
Baskes, M.4
-
32
-
-
79953766736
-
-
Jmol: An open-source Java viewer for chemical structures in 3D.
-
Jmol: An open-source Java viewer for chemical structures in 3D; http://www.jmol.org/.
-
-
-
-
33
-
-
79956029084
-
-
Yang, J. C.; Evan, D.; Tropia, L. Appl. Phys. Lett. 2002, 81, 241-243
-
(2002)
Appl. Phys. Lett.
, vol.81
, pp. 241-243
-
-
Yang, J.C.1
Evan, D.2
Tropia, L.3
-
34
-
-
0037376481
-
-
Kizilkaya, O.; Hite, D. A.; Zehner, D. M.; Sprunger, P. T. Surf. Sci. 2003, 529, 223-230
-
(2003)
Surf. Sci.
, vol.529
, pp. 223-230
-
-
Kizilkaya, O.1
Hite, D.A.2
Zehner, D.M.3
Sprunger, P.T.4
-
35
-
-
0031146483
-
-
Graupner, H.; Hammer, L.; Heinz, K.; Zehner, D. M. Surf. Sci. 1997, 380, 335-351
-
(1997)
Surf. Sci.
, vol.380
, pp. 335-351
-
-
Graupner, H.1
Hammer, L.2
Heinz, K.3
Zehner, D.M.4
-
36
-
-
24944455527
-
-
Finnis, M.; Lozovoi, A.; Alavi, A. Annu. Rev. Mater. Res. 2005, 35, 167-207
-
(2005)
Annu. Rev. Mater. Res.
, vol.35
, pp. 167-207
-
-
Finnis, M.1
Lozovoi, A.2
Alavi, A.3
-
37
-
-
0018506089
-
-
Sakiyama, M.; Tomaszewicz, P.; Wallwork, G. R. Oxid. Met. 1979, 13, 311-330
-
(1979)
Oxid. Met.
, vol.13
, pp. 311-330
-
-
Sakiyama, M.1
Tomaszewicz, P.2
Wallwork, G.R.3
|