Interatomic potentials for materials with interacting electrons (Journal Computer-Aided Mater Design (2008) 14:SUPPL. 1 DOI: 10.1007/s10820-007-9073-x);Interatomic potentials for materials with interacting electrons

Journal of Computer-Aided Materials Design

Volumn 14, Issue SUPPL. 1, 2007, Pages 129-140

  Dudarev, S L ^a,b   Derlet, P M ^c  

^a CULHAM SCIENCE CENTRE   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

Electron correlations; Interatomic potentials; Iron; Magnetic potential; Magnetism; Molecular dynamics

Indexed keywords

CHEMICAL BONDS; ELECTRON CORRELATIONS; HUBBARD MODEL; IRON ALLOYS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

INTERATOMIC INTERACTIONS; INTERATOMIC POTENTIALS; MAGNETIC POTENTIAL;

MATERIALS;

EID: 41549099473     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10820-008-9091-3     Document Type: Erratum

References (29)

1. 1. C. Domain C.S. Becquart 2001 Phys. Rev. B 65 024103 024114 10.1103/PhysRevB.65.024103 Domain C. and Becquart C.S. (2001). Phys. Rev. B 65: 024103–024114
2. 2. S. Han L.A. Zepeda-Ruiz G.J. Ackland R. Car D.J. Srolovitz 2002 Phys. Rev. B 66 220101 220104 10.1103/PhysRevB.66.220101 Han S., Zepeda-Ruiz L.A., Ackland G.J., Car R. and Srolovitz D.J. (2002). Phys. Rev. B 66: 220101–220104
3. 3. C.-C. Fu F. Willaime P. Ordejón 2004 Phys. Rev. Lett. 92 175503 175504 10.1103/PhysRevLett.92.175503 Fu C.-C., Willaime F. and Ordejón P. (2004). Phys. Rev. Lett. 92: 175503–175504
4. 4. F. Willaime C.-C. Fu M.C. Marinica J. Dalla Torre 2005 Nuc. Inst. Meth. B 228 92 99 10.1016/j.nimb.2004.10.028 1:CAS:528:DC%2BD2MXhvF2qtw%3D%3D Willaime F., Fu C.-C., Marinica M.C. and Dalla Torre J. (2005). Nuc. Inst. Meth. B 228: 92–99
5. 5. D. Nguyen-Manh A.P. Horsfield S.L. Dudarev 2006 Phys. Rev. B 73 020101 020104 10.1103/PhysRevB.73.020101 Nguyen-Manh D., Horsfield A.P. and Dudarev S.L. (2006). Phys. Rev. B 73: 020101–020104
6. 6. Dudarev, S.L., Derlet, P.M.: J. Phys. Condens. Matter 17, 7097–7118 (2005); ibid 19, 239001 (2007)
7. 7. P.M. Derlet S.L. Dudarev 2007 Prog. Mater. Sci. 52 299 318 10.1016/j.pmatsci.2006.10.011 1:CAS:528:DC%2BD2sXlsF2msQ%3D%3D Derlet P.M. and Dudarev S.L. (2007). Prog. Mater. Sci. 52: 299–318
8. 8. A. Kotani T. Yamazaki 1992 Prog. Theor. Phys. Suppl. 108 117 131 10.1143/PTPS.108.117 1:CAS:528:DyaK38Xlt1Srtro%3D Kotani A. and Yamazaki T. (1992). Prog. Theor. Phys. Suppl. 108: 117–131
9. 9. S.L. Dudarev G.A. Botton S.Y. Savrasov C.J. Humphreys A.P. Sutton 1998 Phys. Rev. B 57 1505 1509 10.1103/PhysRevB.57.1505 1:CAS:528:DyaK1cXlsVarsQ%3D%3D Dudarev S.L., Botton G.A., Savrasov S.Y., Humphreys C.J. and Sutton A.P. (1998). Phys. Rev. B 57: 1505–1509
10. 10. P. Fulde 1995 Electron Correlations in Molecules and Solids 3 Springer Berlin Fulde P. (1995). Electron Correlations in Molecules and Solids, 3rd edn. Springer, Berlin
11. 11. P. Fazekas 1999 Electron Correlations and Magnetism World Scientific Singapore Fazekas P. (1999). Electron Correlations and Magnetism. World Scientific, Singapore
12. 12. A.P. Sutton M.W. Finnis D.G. Pettifor Y. Ohta 1988 J. Phys. C: Solid State Phys. 21 35 66 10.1088/0022-3719/21/1/007 Sutton A.P., Finnis M.W., Pettifor D.G. and Ohta Y. (1988). J. Phys. C: Solid State Phys. 21: 35–66
13. 13. D.G. Pettifor 1996 Bonding and Structure of Molecules and Solids Oxford University Press Oxford Pettifor D.G. (1996). Bonding and Structure of Molecules and Solids. Oxford University Press, Oxford
14. 14. S.L. Dudarev 2006 J. Phys.: Condens. Matter 18 S447 S461 10.1088/0953-8984/18/16/S06 1:CAS:528:DC%2BD28Xlt1Wis7o%3D Dudarev S.L. (2006). J. Phys.: Condens. Matter 18: S447–S461
15. 15. D. Nguyen-Manh V. Vitek A.P. Horsfield 2007 Prog. Mater. Sci. 52 255 298 10.1016/j.pmatsci.2006.10.010 1:CAS:528:DC%2BD2sXlsF2msw%3D%3D Nguyen-Manh D., Vitek V. and Horsfield A.P. (2007). Prog. Mater. Sci. 52: 255–298
16. 16. M.W. Finnis 2003 Interatomic Forces in Condensed Matter Oxford University Press Oxford Finnis M.W. (2003). Interatomic Forces in Condensed Matter. Oxford University Press, Oxford
17. 17. S.L. Frederiksen K.W. Jacobsen K.S. Brown J.P. Sethna 2004 Phys. Rev. Lett. 93 165501 165504 10.1103/PhysRevLett.93.165501 Frederiksen S.L., Jacobsen K.W., Brown K.S. and Sethna J.P. (2004). Phys. Rev. Lett. 93: 165501–165504
18. 18. S.L. Dudarev D. Nguyen-Manh A.P. Sutton 1997 Philos. Mag. B 75 613 628 10.1080/13642819708202343 1:CAS:528:DyaK2sXjtFelu7g%3D Dudarev S.L., Nguyen-Manh D. and Sutton A.P. (1997). Philos. Mag. B 75: 613–628
19. 19. O. Gunnarsson 1976 J. Phys. F: Metal Phys. 6 587 606 10.1088/0305-4608/6/4/018 1:CAS:528:DyaE28XktFaqurk%3D Gunnarsson O. (1976). J. Phys. F: Metal Phys. 6: 587–606
20. 20. I.V. Solovyev M. Imada 2005 Phys. Rev. B 71 045103 10.1103/PhysRevB.71.045103 Solovyev I.V. and Imada M. (2005). Phys. Rev. B 71: 045103
21. 21. H. Hasegawa M.W. Finnis D.G. Pettifor 1985 J. Phys. F: Metal Phys. 15 19 34 10.1088/0305-4608/15/1/007 1:CAS:528:DyaL2MXlsVyrsQ%3D%3D see equations (2.5)–(2.7) Hasegawa H., Finnis M.W. and Pettifor D.G. (1985). J. Phys. F: Metal Phys. 15: 19–34 see equations (2.5)–(2.7)
22. 22. G. Liu D. Nguyen-Manh B.-G. Liu D.G. Pettifor 2005 Phys. Rev. B 71 174115 10.1103/PhysRevB.71.174115 Liu G., Nguyen-Manh D., Liu B.-G. and Pettifor D.G. (2005). Phys. Rev. B 71: 174115
23. 23. W.E. Pickett 1996 J. Korean Phys. Soc. 29 S70 S74 1:CAS:528:DyaK28XmvFWnsrs%3D Pickett W.E. (1996). J. Korean Phys. Soc. 29: S70–S74
24. 24. L.D. Landau E.M. Lifshitz 1977 Statistical Physics, 3rd edn Pergamon Press Oxford Landau L.D. and Lifshitz E.M. (1977). Statistical Physics, 3rd edn. Pergamon Press, Oxford
25. 25. D.G. Pettifor 1980 J. Magn. Magn. Mater. 15–18 847 852 10.1016/0304-8853(80)90792-1 Pettifor D.G. (1980). J. Magn. Magn. Mater. 15–18: 847–852
26. 26. G.J. Ackland 2006 J. Nucl. Mater. 351 20 27 10.1016/j.jnucmat.2006.02.024 1:CAS:528:DC%2BD28XltlSgsrk%3D Ackland G.J. (2006). J. Nucl. Mater. 351: 20–27
27. 27. M.W. Finnis J.E. Sinclair 1984 Philos. Mag. 50 45 55 1:CAS:528:DyaL2cXltFOjtbg%3D Finnis M.W. and Sinclair J.E. (1984). Philos. Mag. 50: 45–55
28. 28. G.J. Ackland M.W. Finnis V. Vitek 1984 J. Phys. F18 L153 L157 Ackland G.J., Finnis M.W. and Vitek V. (1984). J. Phys. F18: L153–L157
29. 29. P.W. Ma W.C. Liu C.H. Woo S.L. Dudarev 2007 J. Appl. Phys. 101 073908 10.1063/1.2715753 Ma P.W., Liu W.C., Woo C.H. and Dudarev S.L. (2007). J. Appl. Phys. 101: 073908