-
3
-
-
0024089233
-
-
10.1016/0001-6160(88)90113-7
-
S. P. Lynch, Acta Metall. 36, 2639 (1988). 10.1016/0001-6160(88)90113-7
-
(1988)
Acta Metall.
, vol.36
, pp. 2639
-
-
Lynch, S.P.1
-
4
-
-
38849194611
-
-
10.1103/PhysRevB.77.024428
-
A. T. Paxton and M. W. Finnis, Phys. Rev. B 77, 024428 (2008). 10.1103/PhysRevB.77.024428
-
(2008)
Phys. Rev. B
, vol.77
, pp. 024428
-
-
Paxton, A.T.1
Finnis, M.W.2
-
7
-
-
4043129623
-
-
Oxford University Press, Oxford, 10.1093/acprof:oso/9780198509776.001. 0001
-
M. W. Finnis, Interatomic Forces in Condensed Matter (Oxford University Press, Oxford, 2003). 10.1093/acprof:oso/9780198509776.001.0001
-
(2003)
Interatomic Forces in Condensed Matter
-
-
Finnis, M.W.1
-
8
-
-
33344476952
-
-
10.1103/PhysRevB.71.174115
-
G. Liu, D. Nguyen-Manh, B.-G. Liu, and D. G. Pettifor, Phys. Rev. B 71, 174115 (2005). 10.1103/PhysRevB.71.174115
-
(2005)
Phys. Rev. B
, vol.71
, pp. 174115
-
-
Liu, G.1
Nguyen-Manh, D.2
Liu, B.-G.3
Pettifor, D.G.4
-
9
-
-
72049095420
-
-
in NIC Series Vol. Jülich Supercomputing Centre, Forschungszentrum Jülich
-
A. T. Paxton, in Multiscale Simulation Methods in Molecular Sciences, NIC Series Vol. 42 (Jülich Supercomputing Centre, Forschungszentrum Jülich, 2009), pp. 145-174.
-
(2009)
Multiscale Simulation Methods in Molecular Sciences
, vol.42
, pp. 145-174
-
-
Paxton, A.T.1
-
11
-
-
0002905834
-
-
A. P. Sutton, M. W. Finnis, D. G. Pettifor, and Y. Ohta, J. Phys.: Condens. Matter 21, 35 (1988).
-
(1988)
J. Phys.: Condens. Matter
, vol.21
, pp. 35
-
-
Sutton, A.P.1
Finnis, M.W.2
Pettifor, D.G.3
Ohta, Y.4
-
12
-
-
2442522754
-
-
10.1103/PhysRev.94.1498
-
J. C. Slater and G. F. Koster, Phys. Rev. 94, 1498 (1954). 10.1103/PhysRev.94.1498
-
(1954)
Phys. Rev.
, vol.94
, pp. 1498
-
-
Slater, J.C.1
Koster, G.F.2
-
15
-
-
0030195672
-
-
10.1088/0022-3727/29/7/003
-
A. T. Paxton, J. Phys. D 29, 1689 (1996). 10.1088/0022-3727/29/7/003
-
(1996)
J. Phys. D
, vol.29
, pp. 1689
-
-
Paxton, A.T.1
-
16
-
-
36049056204
-
-
10.1103/PhysRev.153.673
-
V. Heine, Phys. Rev. 153, 673 (1967). 10.1103/PhysRev.153.673
-
(1967)
Phys. Rev.
, vol.153
, pp. 673
-
-
Heine, V.1
-
17
-
-
0015646682
-
-
10.1016/0038-1098(73)90210-X
-
O. K. Andersen, Solid State Commun. 13, 133 (1973). 10.1016/0038-1098(73) 90210-X
-
(1973)
Solid State Commun.
, vol.13
, pp. 133
-
-
Andersen, O.K.1
-
18
-
-
23244461569
-
-
10.1103/PhysRevB.12.3060
-
O. K. Andersen, Phys. Rev. B 12, 3060 (1975). 10.1103/PhysRevB.12.3060
-
(1975)
Phys. Rev. B
, vol.12
, pp. 3060
-
-
Andersen, O.K.1
-
24
-
-
0037695743
-
-
10.1080/0141861021000054601
-
S. Znam, D. Nguyen-Manh, D. G. Pettifor, and V. Vitek, Philos. Mag. A 83, 415 (2003). 10.1080/0141861021000054601
-
(2003)
Philos. Mag. A
, vol.83
, pp. 415
-
-
Znam, S.1
Nguyen-Manh, D.2
Pettifor, D.G.3
Vitek, V.4
-
28
-
-
0000226949
-
-
10.1103/PhysRevB.53.979
-
M. S. Tang, C. Z. Wang, C. T. Chan, and K. M. Ho, Phys. Rev. B 53, 979 (1996). 10.1103/PhysRevB.53.979
-
(1996)
Phys. Rev. B
, vol.53
, pp. 979
-
-
Tang, M.S.1
Wang, C.Z.2
Chan, C.T.3
Ho, K.M.4
-
29
-
-
0001595278
-
-
10.1103/PhysRevB.57.1461
-
H. Haas, C. Z. Wang, M. Fähnle, C. Elsässer, and K. M. Ho, Phys. Rev. B 57, 1461 (1998). 10.1103/PhysRevB.57.1461
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1461
-
-
Haas, H.1
Wang, C.Z.2
Fähnle, M.3
Elsässer, C.4
Ho, K.M.5
-
31
-
-
2142645128
-
-
10.1103/PhysRevB.69.094115
-
M. Mrovec, D. Nguyen-Manh, D. G. Pettifor, and V. Vitek, Phys. Rev. B 69, 094115 (2004). 10.1103/PhysRevB.69.094115
-
(2004)
Phys. Rev. B
, vol.69
, pp. 094115
-
-
Mrovec, M.1
Nguyen-Manh, D.2
Pettifor, D.G.3
Vitek, V.4
-
32
-
-
34047235006
-
-
10.1103/PhysRevB.75.104119
-
M. Mrovec, R. Gröger, A. G. Bailey, D. Nguyen-Manh, C. Elsässer, and V. Vitek, Phys. Rev. B 75, 104119 (2007). 10.1103/PhysRevB.75.104119
-
(2007)
Phys. Rev. B
, vol.75
, pp. 104119
-
-
Mrovec, M.1
Gröger, R.2
Bailey, A.G.3
Nguyen-Manh, D.4
Elsässer, C.5
Vitek, V.6
-
34
-
-
0003439819
-
-
Springer-Verlag, Berlin, 10.1007/3-540-46437-9-3
-
M. Methfessel, M. van Schilfgaarde, and R. A. Casali, Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method (Springer-Verlag, Berlin, 2000), pp. 114-147. 10.1007/3-540-46437-9-3
-
(2000)
Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method
, pp. 114-147
-
-
Methfessel, M.1
Van Schilfgaarde, M.2
Casali, R.A.3
-
35
-
-
0000407772
-
-
10.1103/PhysRevLett.42.846
-
D. G. Pettifor, Phys. Rev. Lett. 42, 846 (1979). 10.1103/PhysRevLett.42. 846
-
(1979)
Phys. Rev. Lett.
, vol.42
, pp. 846
-
-
Pettifor, D.G.1
-
37
-
-
0344228772
-
-
10.1016/S0081-1947(08)60690-6
-
D. G. Pettifor, Solid State Phys. 40, 43 (1987). 10.1016/S0081-1947(08) 60690-6
-
(1987)
Solid State Phys.
, vol.40
, pp. 43
-
-
Pettifor, D.G.1
-
39
-
-
33244460842
-
-
10.2355/isijinternational.45.1789
-
I. Seki and K. Nagata, ISIJ Int. 45, 1789 (2005). 10.2355/ isijinternational.45.1789
-
(2005)
ISIJ Int.
, vol.45
, pp. 1789
-
-
Seki, I.1
Nagata, K.2
-
40
-
-
0001106349
-
-
10.1103/PhysRevB.35.4500
-
J. Zarestky and C. Stassis, Phys. Rev. B 35, 4500 (1987). 10.1103/PhysRevB.35.4500
-
(1987)
Phys. Rev. B
, vol.35
, pp. 4500
-
-
Zarestky, J.1
Stassis, C.2
-
41
-
-
0021093122
-
-
10.1016/0304-8853(83)90117-8
-
D. M. Edwards, J. Magn. Magn. Mater. 36, 213 (1983). 10.1016/0304- 8853(83)90117-8
-
(1983)
J. Magn. Magn. Mater.
, vol.36
, pp. 213
-
-
Edwards, D.M.1
-
42
-
-
33845759615
-
-
10.1063/1.2365714
-
J. J. Adams, D. S. Agosta, R. G. Leisure, and H. Ledbetter, J. Appl. Phys. 100, 113530 (2006). 10.1063/1.2365714
-
(2006)
J. Appl. Phys.
, vol.100
, pp. 113530
-
-
Adams, J.J.1
Agosta, D.S.2
Leisure, R.G.3
Ledbetter, H.4
-
44
-
-
49149148319
-
-
10.1016/0304-8853(80)90953-1
-
V. Heine, A. Holden, P. Lin-Chung, and M. You, J. Magn. Magn. Mater. 15-18, 69 (1980). 10.1016/0304-8853(80)90953-1
-
(1980)
J. Magn. Magn. Mater.
, vol.15-18
, pp. 69
-
-
Heine, V.1
Holden, A.2
Lin-Chung, P.3
You, M.4
-
49
-
-
0002176577
-
-
10.1051/jphyscol:1988803
-
N. E. Christensen, O. Gunnarsson, O. Jepsen, and O. K. Andersen, J. Phys. Colloq. 49, C8 (1988). 10.1051/jphyscol:1988803
-
(1988)
J. Phys. Colloq.
, vol.49
, pp. 8
-
-
Christensen, N.E.1
Gunnarsson, O.2
Jepsen, O.3
Andersen, O.K.4
-
50
-
-
0001279845
-
-
10.1088/0953-8984/10/23/012
-
C. Elsässer, J. Zhu, S. G. Louie, M. Fähnle, and C. T. Chan, J. Phys.: Condens. Matter 10, 5081 (1998). 10.1088/0953-8984/10/23/012
-
(1998)
J. Phys.: Condens. Matter
, vol.10
, pp. 5081
-
-
Elsässer, C.1
Zhu, J.2
Louie, S.G.3
Fähnle, M.4
Chan, C.T.5
-
51
-
-
3342958375
-
-
10.1103/PhysRevLett.37.519
-
K. Tajima, Y. Endoh, Y. Ishikawa, and W. G. Stirling, Phys. Rev. Lett. 37, 519 (1976). 10.1103/PhysRevLett.37.519
-
(1976)
Phys. Rev. Lett.
, vol.37
, pp. 519
-
-
Tajima, K.1
Endoh, Y.2
Ishikawa, Y.3
Stirling, W.G.4
-
54
-
-
0031652160
-
-
in MRS Symposia Proceedings No. 491, edited by P. E. A. Turchi, A. Gonis, and L. Colombo (Materials Research Society, Pittsburgh, PA
-
M. W. Finnis, A. T. Paxton, M. Methfessel, and M. van Schilfgaarde, in Tight Binding Approach to Computational Materials Science, MRS Symposia Proceedings No. 491, edited by, P. E. A. Turchi,,, A. Gonis,, and, L. Colombo, (Materials Research Society, Pittsburgh, PA, 1998), pp. 265-274.
-
(1998)
Tight Binding Approach to Computational Materials Science
, pp. 265-274
-
-
Finnis, M.W.1
Paxton, A.T.2
Methfessel, M.3
Van Schilfgaarde, M.4
-
55
-
-
0036645364
-
-
10.1016/S0039-6028(02)01809-5
-
M. J. S. Spencer, A. Hung, I. K. Snook, and I. Yarovsky, Surf. Sci. 513, 389 (2002). 10.1016/S0039-6028(02)01809-5
-
(2002)
Surf. Sci.
, vol.513
, pp. 389
-
-
Spencer, M.J.S.1
Hung, A.2
Snook, I.K.3
Yarovsky, I.4
-
56
-
-
0000727665
-
-
10.1098/rspa.1956.0029
-
N. P. Allen, B. E. Hopkins, and J. E. McLennan, Proc. R. Soc. London, Ser. A 234, 221 (1956). 10.1098/rspa.1956.0029
-
(1956)
Proc. R. Soc. London, Ser. A
, vol.234
, pp. 221
-
-
Allen, N.P.1
Hopkins, B.E.2
McLennan, J.E.3
-
57
-
-
30944458058
-
-
10.1016/j.msea.2005.10.066
-
R. Ayer, R. Mueller, and T. Neeraj, Mater. Sci. Eng., A 417, 243 (2006). 10.1016/j.msea.2005.10.066
-
(2006)
Mater. Sci. Eng., A
, vol.417
, pp. 243
-
-
Ayer, R.1
Mueller, R.2
Neeraj, T.3
-
60
-
-
0036140495
-
-
10.1103/PhysRevB.65.024103
-
C. Domain and C. S. Becquart, Phys. Rev. B 65, 024103 (2001). 10.1103/PhysRevB.65.024103
-
(2001)
Phys. Rev. B
, vol.65
, pp. 024103
-
-
Domain, C.1
Becquart, C.S.2
-
61
-
-
0038170699
-
-
10.1103/PhysRevB.61.2579
-
P. Söderlind, L. H. Yang, J. A. Moriarty, and J. M. Wills, Phys. Rev. B 61, 2579 (2000). 10.1103/PhysRevB.61.2579
-
(2000)
Phys. Rev. B
, vol.61
, pp. 2579
-
-
Söderlind, P.1
Yang, L.H.2
Moriarty, J.A.3
Wills, J.M.4
-
62
-
-
0038236986
-
-
10.1103/PhysRevB.67.174105
-
Y. Tateyama and T. Ohno, Phys. Rev. B 67, 174105 (2003). 10.1103/PhysRevB.67.174105
-
(2003)
Phys. Rev. B
, vol.67
, pp. 174105
-
-
Tateyama, Y.1
Ohno, T.2
-
63
-
-
4243518628
-
-
10.4028/www.scientific.net/MSF.15-18.125
-
K. Fürderer, K.-P. Döring, M. Gladisch, N. Haas, D. Herlach, J. Major, H.-J. Mundinger, J. Rosenkranz, W. Schäfer, L. Schimmele, W. Schwartz, and A. Seeger, Mater. Sci. Forum 15-18, 125 (1987). 10.4028/www.scientific.net/MSF.15-18.125
-
(1987)
Mater. Sci. Forum
, vol.15-18
, pp. 125
-
-
Fürderer, K.1
Döring, K.-P.2
Gladisch, M.3
Haas, N.4
Herlach, D.5
Major, J.6
Mundinger, H.-J.7
Rosenkranz, J.8
Schäfer, W.9
Schimmele, L.10
Schwartz, W.11
Seeger, A.12
-
64
-
-
0032097156
-
-
10.1002/(SICI)1521-396X(199806)167:2<289::AID-PSSA289>3.0.CO;2-V
-
A. Seeger, Phys. Status Solidi A 167, 289 (1998). 10.1002/(SICI)1521- 396X(199806)167:2<289::AID-PSSA289>3.0.CO;2-V
-
(1998)
Phys. Status Solidi A
, vol.167
, pp. 289
-
-
Seeger, A.1
-
66
-
-
0000466340
-
-
10.1103/PhysRevB.27.5257
-
L. De Schepper, D. Segers, L. Dorikens-Vanpraet, M. Dorikens, G. Knuyt, L. M. Stals, and P. Moser, Phys. Rev. B 27, 5257 (1983). 10.1103/PhysRevB.27. 5257
-
(1983)
Phys. Rev. B
, vol.27
, pp. 5257
-
-
De Schepper, L.1
Segers, D.2
Dorikens-Vanpraet, L.3
Dorikens, M.4
Knuyt, G.5
Stals, L.M.6
Moser, P.7
-
67
-
-
0012884379
-
-
10.1088/0953-8984/10/23/013
-
C. Elsässer, J. Zhu, S. G. Louie, B. Meyer, M. Fähnle, and C. T. Chan, J. Phys.: Condens. Matter 10, 5113 (1998). 10.1088/0953-8984/10/23/013
-
(1998)
J. Phys.: Condens. Matter
, vol.10
, pp. 5113
-
-
Elsässer, C.1
Zhu, J.2
Louie, S.G.3
Meyer, B.4
Fähnle, M.5
Chan, C.T.6
-
68
-
-
0342729112
-
-
10.1088/0953-8984/10/23/014
-
C. Elsässer, H. Krimmel, M. Fähnle, S. G. Louie, and C. T. Chan, J. Phys.: Condens. Matter 10, 5131 (1998). 10.1088/0953-8984/10/23/014
-
(1998)
J. Phys.: Condens. Matter
, vol.10
, pp. 5131
-
-
Elsässer, C.1
Krimmel, H.2
Fähnle, M.3
Louie, S.G.4
Chan, C.T.5
-
70
-
-
0000207021
-
-
10.1103/PhysRevLett.81.5149
-
M. W. Finnis, A. T. Paxton, M. Methfessel, and M. van Schilfgaarde, Phys. Rev. Lett. 81, 5149 (1998). 10.1103/PhysRevLett.81.5149
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 5149
-
-
Finnis, M.W.1
Paxton, A.T.2
Methfessel, M.3
Van Schilfgaarde, M.4
-
73
-
-
0028494442
-
-
10.1088/0953-8984/6/38/009
-
H. Krimmel, L. Schimmele, C. Elsässer, and M. Fähnle, J. Phys.: Condens. Matter 6, 7705 (1994). 10.1088/0953-8984/6/38/009
-
(1994)
J. Phys.: Condens. Matter
, vol.6
, pp. 7705
-
-
Krimmel, H.1
Schimmele, L.2
Elsässer, C.3
Fähnle, M.4
-
75
-
-
0028498408
-
-
10.1088/0953-8984/6/38/008
-
H. Krimmel, L. Schimmele, C. Elsässer, and M. Fähnle, J. Phys.: Condens. Matter 6, 7679 (1994). 10.1088/0953-8984/6/38/008
-
(1994)
J. Phys.: Condens. Matter
, vol.6
, pp. 7679
-
-
Krimmel, H.1
Schimmele, L.2
Elsässer, C.3
Fähnle, M.4
-
76
-
-
19544366413
-
-
10.1103/PhysRevB.70.064102
-
D. E. Jiang and E. A. Carter, Phys. Rev. B 70, 064102 (2004). 10.1103/PhysRevB.70.064102
-
(2004)
Phys. Rev. B
, vol.70
, pp. 064102
-
-
Jiang, D.E.1
Carter, E.A.2
-
78
-
-
78650859732
-
-
(unpublished).
-
A. T. Paxton (unpublished).
-
-
-
Paxton, A.T.1
-
80
-
-
0030086280
-
-
10.1016/0039-6028(95)01016-5
-
P. B. Merrill and R. J. Madix, Surf. Sci. 347, 249 (1996). 10.1016/0039-6028(95)01016-5
-
(1996)
Surf. Sci.
, vol.347
, pp. 249
-
-
Merrill, P.B.1
Madix, R.J.2
-
81
-
-
53049108156
-
-
10.1016/j.actamat.2008.06.031
-
K. Takai, H. Shoda, H. Suzuki, and M. Nagumo, Acta Mater. 56, 5158 (2008). 10.1016/j.actamat.2008.06.031
-
(2008)
Acta Mater.
, vol.56
, pp. 5158
-
-
Takai, K.1
Shoda, H.2
Suzuki, H.3
Nagumo, M.4
-
82
-
-
73649114247
-
-
10.1016/j.scriptamat.2009.09.037
-
R. Kirchheim, Scr. Mater. 62, 67 (2010). 10.1016/j.scriptamat.2009.09.037
-
(2010)
Scr. Mater.
, vol.62
, pp. 67
-
-
Kirchheim, R.1
-
85
-
-
34547653608
-
-
10.1016/j.actamat.2007.05.033
-
R. Kirchheim, Acta Mater. 55, 5139 (2007). 10.1016/j.actamat.2007.05.033
-
(2007)
Acta Mater.
, vol.55
, pp. 5139
-
-
Kirchheim, R.1
-
86
-
-
78650864946
-
-
trap (1,n ) in Ref. and plotted in their Fig. .
-
trap (1, n) in Ref. and plotted in their Fig..
-
-
-
-
88
-
-
4143081138
-
-
10.1103/PhysRevLett.49.1420
-
J. K. Nørskov, F. Besenbacher, J. Bøttiger, B. B. Nielsen, and A. A. Pisarev, Phys. Rev. Lett. 49, 1420 (1982). 10.1103/PhysRevLett.49.1420
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1420
-
-
Nørskov, J.K.1
Besenbacher, F.2
Bøttiger, J.3
Nielsen, B.B.4
Pisarev, A.A.5
-
89
-
-
42749108392
-
-
10.1103/PhysRevB.69.224106
-
J. Čížek, I. Procházka, F. Bečvář, R. Kužel, M. Cieslar, G. Brauer, W. Anwand, R. Kirchheim, and A. Pundt, Phys. Rev. B 69, 224106 (2004). 10.1103/PhysRevB.69. 224106
-
(2004)
Phys. Rev. B
, vol.69
, pp. 224106
-
-
Čížek, J.1
Procházka, I.2
Bečvá ř, F.3
Kužel, R.4
Cieslar, M.5
Brauer, G.6
Anwand, W.7
Kirchheim, R.8
Pundt, A.9
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