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Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 22, 2010, Pages

First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron

(3) Nazarov, R a Hickel, T a Neugebauer, J a

a MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78650938485 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.82.224104 Document Type: Article

Times cited : (127)

References (58)

1
- 0019031617
- 10.1007/BF02654700
- J. P. Hirth, Metall. Mater. Trans. 11A, 861 (1980). 10.1007/BF02654700
- (1980) Metall. Mater. Trans. , vol.11 , pp. 861
- Hirth, J.P.¹

2
- 0036532858
- 10.1016/S1350-6307(01)00009-7
- N. Eliaz, A. Snachar, B. Tal, and D. Eliezer, Eng. Failure Anal. 9, 167 (2002). 10.1016/S1350-6307(01)00009-7
- (2002) Eng. Failure Anal. , vol.9 , pp. 167
- Eliaz, N.¹ Snachar, A.² Tal, B.³ Eliezer, D.⁴

3
- 11944266974
- 10.1103/RevModPhys.64.559
- S. Myers, Rev. Mod. Phys. 64, 559 (1992). 10.1103/RevModPhys.64.559
- (1992) Rev. Mod. Phys. , vol.64 , pp. 559
- Myers, S.¹

4
- 0035959136
- 10.1103/PhysRevLett.87.095501
- G. Lu, Q. Zhang, N. Kioussis, and E. Kaxiras, Phys. Rev. Lett. 87, 095501 (2001). 10.1103/PhysRevLett.87.095501
- (2001) Phys. Rev. Lett. , vol.87 , pp. 095501
- Lu, G.¹ Zhang, Q.² Kioussis, N.³ Kaxiras, E.⁴

5
- 18144426114
- 10.1103/PhysRevLett.94.155501
- G. Lu and E. Kaxiras, Phys. Rev. Lett. 94, 155501 (2005). 10.1103/PhysRevLett.94.155501
- (2005) Phys. Rev. Lett. , vol.94 , pp. 155501
- Lu, G.¹ Kaxiras, E.²

6
- 68949090740
- 10.1103/PhysRevB.80.024101
- O. Y. Vekilova, D. I. Bazhanov, S. I. Simak, and I. A. Abrikosov, Phys. Rev. B 80, 024101 (2009). 10.1103/PhysRevB.80.024101
- (2009) Phys. Rev. B , vol.80 , pp. 024101
- Vekilova, O.Y.¹ Bazhanov, D.I.² Simak, S.I.³ Abrikosov, I.A.⁴

7
- 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

8
- 0042303308
- 10.1238/Physica.Topical.103a00011
- Y. Fukai, Phys. Scr. T103, 11 (2003). 10.1238/Physica.Topical.103a00011
- (2003) Phys. Scr. , vol.103 , pp. 11
- Fukai, Y.¹

9
- 0029545460
- 10.1016/0925-8388(95)01834-4
- Y. Fukai, J. Alloys Compd. 231, 35 (1995). 10.1016/0925-8388(95)01834-4
- (1995) J. Alloys Compd. , vol.231 , pp. 35
- Fukai, Y.¹

10
- 0010056714
- 10.1016/S0925-8388(00)01399-2
- S. Miraglia, D. Fruchart, E. K. Hlil, S. S. M. Tavares, and D. Dos Santos, J. Alloys Compd. 317-318, 77 (2001). 10.1016/S0925-8388(00)01399-2
- (2001) J. Alloys Compd. , vol.317-318 , pp. 77
- Miraglia, S.¹ Fruchart, D.² Hlil, E.K.³ Tavares, S.S.M.⁴ Dos Santos, D.⁵

11
- 12044253352
- 10.1103/PhysRevLett.73.1640
- Y. Fukai and N. Okuma, Phys. Rev. Lett. 73, 1640 (1994). 10.1103/PhysRevLett.73.1640
- (1994) Phys. Rev. Lett. , vol.73 , pp. 1640
- Fukai, Y.¹ Okuma, N.²

12
- 0033365310
- 10.1016/S0925-8388(99)00281-9
- D. S. dos Santos, S. Miraglia, and D. Fruchart, J. Alloys Compd. 291, L1 (1999). 10.1016/S0925-8388(99)00281-9
- (1999) J. Alloys Compd. , vol.291 , pp. 1
- Dos Santos, D.S.¹ Miraglia, S.² Fruchart, D.³

13
- 0034513703
- 10.1016/S0925-8388(00)01195-6
- Y. Fukai, Y. Ishii, T. Goto, and K. Watanabe, J. Alloys Compd. 313, 121 (2000). 10.1016/S0925-8388(00)01195-6
- (2000) J. Alloys Compd. , vol.313 , pp. 121
- Fukai, Y.¹ Ishii, Y.² Goto, T.³ Watanabe, K.⁴

14
- 0027658720
- 10.1143/JJAP.32.L1256
- Y. Fukai and N. Okuma, Jpn. J. Appl. Phys., Part 2 32, L1256 (1993). 10.1143/JJAP.32.L1256
- (1993) Jpn. J. Appl. Phys., Part 2 , vol.32 , pp. 1256
- Fukai, Y.¹ Okuma, N.²

15
- 0035860924
- 10.1016/S0925-8388(01)01603-6
- Y. Fukai, Y. Shizuku, and Y. Kurokawa, J. Alloys Compd. 329, 195 (2001). 10.1016/S0925-8388(01)01603-6
- (2001) J. Alloys Compd. , vol.329 , pp. 195
- Fukai, Y.¹ Shizuku, Y.² Kurokawa, Y.³

16
- 0029521853
- 10.1016/0925-8388(95)01836-0
- K. Nakamura and Y. Fukai, J. Alloys Compd. 231, 46 (1995). 10.1016/0925-8388(95)01836-0
- (1995) J. Alloys Compd. , vol.231 , pp. 46
- Nakamura, K.¹ Fukai, Y.²

17
- 0030083429
- 10.1016/1359-6462(95)00491-2
- K. Watanabe, N. Okuma, Y. Fukai, Y. Sakamoto, and Y. Hayashi, Scr. Mater. 34, 551 (1996). 10.1016/1359-6462(95)00491-2
- (1996) Scr. Mater. , vol.34 , pp. 551
- Watanabe, K.¹ Okuma, N.² Fukai, Y.³ Sakamoto, Y.⁴ Hayashi, Y.⁵

18
- 0031131088
- 10.1016/S0925-8388(96)02968-4
- H. K. Birnbaum, C. Buckley, F. Zeides, E. Sirois, P. Rozenak, S. Spooner, and J. S. Lin, J. Alloys Compd. 253-254, 260 (1997). 10.1016/S0925-8388(96) 02968-4
- (1997) J. Alloys Compd. , vol.253-254 , pp. 260
- Birnbaum, H.K.¹ Buckley, C.² Zeides, F.³ Sirois, E.⁴ Rozenak, P.⁵ Spooner, S.⁶ Lin, J.S.⁷

19
- 0035780639
- 10.4028/www.scientific.net/DDF.194-199.1063
- Y. Fukai, T. Haraguchi, E. Hayashi, Y. Ishii, Y. Kurokawa, and J. Yanagawa, Defect Diffus. Forum 194-199, 1063 (2001). 10.4028/www.scientific.net/ DDF.194-199.1063
- (2001) Defect Diffus. Forum , vol.194-199 , pp. 1063
- Fukai, Y.¹ Haraguchi, T.² Hayashi, E.³ Ishii, Y.⁴ Kurokawa, Y.⁵ Yanagawa, J.⁶

20
- 0037433908
- 10.1016/S0925-8388(02)00806-X
- Y. Fukai, K. Mori, and H. Shinomiya, J. Alloys Compd. 348, 105 (2003). 10.1016/S0925-8388(02)00806-X
- (2003) J. Alloys Compd. , vol.348 , pp. 105
- Fukai, Y.¹ Mori, K.² Shinomiya, H.³

21
- 0036577899
- 10.2320/matertrans.43.1079
- Y. Fukai and M. Mizutani, Mater. Trans. 43, 1079 (2002). 10.2320/matertrans.43.1079
- (2002) Mater. Trans. , vol.43 , pp. 1079
- Fukai, Y.¹ Mizutani, M.²

22
- 70349531266
- 10.1103/PhysRevLett.103.085501
- P. R. Monasterio, T. T. Lau, S. Yip, and K. J. Van Vliet, Phys. Rev. Lett. 103, 085501 (2009). 10.1103/PhysRevLett.103.085501
- (2009) Phys. Rev. Lett. , vol.103 , pp. 085501
- Monasterio, P.R.¹ Lau, T.T.² Yip, S.³ Van Vliet, K.J.⁴

23
- 0030108116
- 10.1016/1359-6462(95)00580-3
- V. Gavriljuk, V. Bugaev, Y. Petrov, A. Tarasenko, and B. Yanchitski, Scr. Mater. 34, 903 (1996). 10.1016/1359-6462(95)00580-3
- (1996) Scr. Mater. , vol.34 , pp. 903
- Gavriljuk, V.¹ Bugaev, V.² Petrov, Y.³ Tarasenko, A.⁴ Yanchitski, B.⁵

24
- 0003770382
- Willey, New York
- A. Khachaturyan, Theory of Structural Transformations in Solids (Willey, New York, 1983).
- (1983) Theory of Structural Transformations in Solids
- Khachaturyan, A.¹

25
- 0039247942
- 10.1016/0360-3199(88)90009-2
- V. N. Bugaev, A. A. Smirnov, and V. A. Tatarenko, Int. J. Hydrogen Energy 13, 605 (1988). 10.1016/0360-3199(88)90009-2
- (1988) Int. J. Hydrogen Energy , vol.13 , pp. 605
- Bugaev, V.N.¹ Smirnov, A.A.² Tatarenko, V.A.³

26
- 0032157290
- 10.1016/S1359-6454(98)00213-4
- P. Maroevic and R. McLellan, Acta Mater. 46, 5593 (1998). 10.1016/S1359-6454(98)00213-4
- (1998) Acta Mater. , vol.46 , pp. 5593
- Maroevic, P.¹ McLellan, R.²

27
- 0031197969
- Y. Fukai, Y. Kurokawa, and H. Hiraoka, J. Jpn. Inst. Met. 61, 663 (1997).
- (1997) J. Jpn. Inst. Met. , vol.61 , pp. 663
- Fukai, Y.¹ Kurokawa, Y.² Hiraoka, H.³

28
- 77954776865
- 10.1103/PhysRevB.81.024105
- M. Ji, C.-Z. Wang, K. M. Ho, S. Adhikari, and K. R. Hebert, Phys. Rev. B 81, 024105 (2010). 10.1103/PhysRevB.81.024105
- (2010) Phys. Rev. B , vol.81 , pp. 024105
- Ji, M.¹ Wang, C.-Z.² Ho, K.M.³ Adhikari, S.⁴ Hebert, K.R.⁵

29
- 0000086328
- 10.1103/PhysRevB.60.3839
- H. C. Herper, E. Hoffmann, and P. Entel, Phys. Rev. B 60, 3839 (1999). 10.1103/PhysRevB.60.3839
- (1999) Phys. Rev. B , vol.60 , pp. 3839
- Herper, H.C.¹ Hoffmann, E.² Entel, P.³

30
- 34547500498
- 10.1103/PhysRevB.76.014434
- I. A. Abrikosov, A. E. Kissavos, F. Liot, B. Alling, S. I. Simak, O. Peil, and A. V. Ruban, Phys. Rev. B 76, 014434 (2007). 10.1103/PhysRevB.76. 014434
- (2007) Phys. Rev. B , vol.76 , pp. 014434
- Abrikosov, I.A.¹ Kissavos, A.E.² Liot, F.³ Alling, B.⁴ Simak, S.I.⁵ Peil, O.⁶ Ruban, A.V.⁷

31
- 0036971364
- 10.1103/PhysRevB.66.224409
- M. Marsman and J. Hafner, Phys. Rev. B 66, 224409 (2002). 10.1103/PhysRevB.66.224409
- (2002) Phys. Rev. B , vol.66 , pp. 224409
- Marsman, M.¹ Hafner, J.²

32
- 3743068377
- 10.1103/PhysRevLett.77.743
- M. Straub, R. Vollmer, and J. Kirschner, Phys. Rev. Lett. 77, 743 (1996). 10.1103/PhysRevLett.77.743
- (1996) Phys. Rev. Lett. , vol.77 , pp. 743
- Straub, M.¹ Vollmer, R.² Kirschner, J.³

33
- 4043163184
- 10.1103/PhysRevLett.74.4531
- D. J. Keavney, D. F. Storm, J. W. Freeland, I. L. Grigorov, and J. C. Walker, Phys. Rev. Lett. 74, 4531 (1995). 10.1103/PhysRevLett.74.4531
- (1995) Phys. Rev. Lett. , vol.74 , pp. 4531
- Keavney, D.J.¹ Storm, D.F.² Freeland, J.W.³ Grigorov, I.L.⁴ Walker, J.C.⁵

34
- 0037017195
- 10.1103/PhysRevLett.88.056101
- D. Spišák and J. Hafner, Phys. Rev. Lett. 88, 056101 (2002). 10.1103/PhysRevLett.88.056101
- (2002) Phys. Rev. Lett. , vol.88 , pp. 056101
- Spišák, D.¹ Hafner, J.²

35
- 36148981901
- 10.1103/PhysRevB.76.205418
- V. Martin, W. Meyer, C. Giovanardi, L. Hammer, K. Heinz, Z. Tian, D. Sander, and J. Kirschner, Phys. Rev. B 76, 205418 (2007). 10.1103/PhysRevB.76. 205418
- (2007) Phys. Rev. B , vol.76 , pp. 205418
- Martin, V.¹ Meyer, W.² Giovanardi, C.³ Hammer, L.⁴ Heinz, K.⁵ Tian, Z.⁶ Sander, D.⁷ Kirschner, J.⁸

36
- 37249013394
- 10.1103/PhysRevLett.99.247205
- D. W. Boukhvalov, Y. N. Gornostyrev, M. I. Katsnelson, and A. I. Lichtenstein, Phys. Rev. Lett. 99, 247205 (2007). 10.1103/PhysRevLett.99.247205
- (2007) Phys. Rev. Lett. , vol.99 , pp. 247205
- Boukhvalov, D.W.¹ Gornostyrev, Y.N.² Katsnelson, M.I.³ Lichtenstein, A.I.⁴

37
- 0000150404
- 10.1103/PhysRevB.59.11693
- P. A. Korzhavyi, I. A. Abrikosov, B. Johansson, A. V. Ruban, and H. L. Skriver, Phys. Rev. B 59, 11693 (1999). 10.1103/PhysRevB.59.11693
- (1999) Phys. Rev. B , vol.59 , pp. 11693
- Korzhavyi, P.A.¹ Abrikosov, I.A.² Johansson, B.³ Ruban, A.V.⁴ Skriver, H.L.⁵

38
- 10644250257
- 10.1103/PhysRev.136.B864
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

39
- 0042113153
- 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

40
- 4243943295
- 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

41
- 35949007146
- 10.1103/PhysRevB.48.13115
- G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993). 10.1103/PhysRevB.48.13115
- (1993) Phys. Rev. B , vol.48 , pp. 13115
- Kresse, G.¹ Hafner, J.²

42
- 2442537377
- 10.1103/PhysRevB.54.11169
- G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

43
- 0030190741
- 10.1016/0927-0256(96)00008-0
- G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
- (1996) Comput. Mater. Sci. , vol.6 , pp. 15
- Kresse, G.¹ Furthmüller, J.²

44
- 0000720337
- 10.1103/PhysRevB.40.3616
- M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989). 10.1103/PhysRevB.40.3616
- (1989) Phys. Rev. B , vol.40 , pp. 3616
- Methfessel, M.¹ Paxton, A.T.²

45
- 0034228002
- 10.1016/S0039-6028(00)00457-X
- G. Kresse and J. Hafner, Surf. Sci. 459, 287 (2000). 10.1016/S0039- 6028(00)00457-X
- (2000) Surf. Sci. , vol.459 , pp. 287
- Kresse, G.¹ Hafner, J.²

46
- 0003919078
- Van Norstrand Reinhold, New York
- K. P. Huber and G. Hertzberg, Molecular Spectra and Molecular Structure IV: Constants of Diatomic Molecules (Van Norstrand Reinhold, New York, 1979).
- (1979) Molecular Spectra and Molecular Structure IV: Constants of Diatomic Molecules
- Huber, K.P.¹ Hertzberg, G.²

47
- 33745753520
- 10.1016/j.commatsci.2005.04.010
- G. Henkelman, A. Arnaldsson, and H. Jónsson, Comput. Mater. Sci. 36, 354 (2006). 10.1016/j.commatsci.2005.04.010
- (2006) Comput. Mater. Sci. , vol.36 , pp. 354
- Henkelman, G.¹ Arnaldsson, A.² Jónsson, H.³

48
- 33947658923
- 10.1002/jcc.20575
- E. Sanville, S. Kenny, R. Smith, and G. Henkelman, J. Comput. Chem. 28, 899 (2007). 10.1002/jcc.20575
- (2007) J. Comput. Chem. , vol.28 , pp. 899
- Sanville, E.¹ Kenny, S.² Smith, R.³ Henkelman, G.⁴

49
- 73249148250
- 10.1103/PhysRevB.80.184110
- L. Ismer, M. S. Park, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 80, 184110 (2009). 10.1103/PhysRevB.80.184110
- (2009) Phys. Rev. B , vol.80 , pp. 184110
- Ismer, L.¹ Park, M.S.² Janotti, A.³ Van De Walle, C.G.⁴

50
- 0037441243
- 10.1103/PhysRevB.67.075204
- M. I. J. Probert and M. C. Payne, Phys. Rev. B 67, 075204 (2003). 10.1103/PhysRevB.67.075204
- (2003) Phys. Rev. B , vol.67 , pp. 075204
- Probert, M.I.J.¹ Payne, M.C.²

51
- 0004459317
- 10.1088/0305-4608/8/5/001
- S. Kim and W. Buyers, J. Phys. F: Met. Phys. 8, L103 (1978). 10.1088/0305-4608/8/5/001
- (1978) J. Phys. F: Met. Phys. , vol.8 , pp. 103
- Kim, S.¹ Buyers, W.²

52
- 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

53
- 77954909358
- 10.1103/PhysRevB.81.094111
- L. Ismer, T. Hickel, and J. Neugebauer, Phys. Rev. B 81, 094111 (2010). 10.1103/PhysRevB.81.094111
- (2010) Phys. Rev. B , vol.81 , pp. 094111
- Ismer, L.¹ Hickel, T.² Neugebauer, J.³

54
- 19944369646
- 10.1209/epl/i2003-00479-1
- S. Danilkin, H. Fuess, H. Wipf, A. Ivanov, V. Gavriljuk, D. Delafosse, and T. Magnin, Europhys. Lett. 63, 69 (2003). 10.1209/epl/i2003-00479-1
- (2003) Europhys. Lett. , vol.63 , pp. 69
- Danilkin, S.¹ Fuess, H.² Wipf, H.³ Ivanov, A.⁴ Gavriljuk, V.⁵ Delafosse, D.⁶ Magnin, T.⁷

55
- 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

56
- 0037089290
- 10.1103/PhysRevB.65.155114
- K. Miwa and A. Fukumoto, Phys. Rev. B 65, 155114 (2002). 10.1103/PhysRevB.65.155114
- (2002) Phys. Rev. B , vol.65 , pp. 155114
- Miwa, K.¹ Fukumoto, A.²

57
- 65149102563
- 10.1103/PhysRevB.79.134101
- M. G. Ganchenkova, V. A. Borodin, and R. M. Nieminen, Phys. Rev. B 79, 134101 (2009). 10.1103/PhysRevB.79.134101
- (2009) Phys. Rev. B , vol.79 , pp. 134101
- Ganchenkova, M.G.¹ Borodin, V.A.² Nieminen, R.M.³

58
- 33749176960
- 10.1146/annurev.matsci.36.010705.155428
- C. G. Van de Walle and J. Neugebauer, Annu. Rev. Mater. Res. 36, 179 (2006). 10.1146/annurev.matsci.36.010705.155428
- (2006) Annu. Rev. Mater. Res. , vol.36 , pp. 179
- Van De Walle, C.G.¹ Neugebauer, J.²

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