Corrigendum to “Atomic and electronic structure of tetrahedral amorphous carbon surfaces from density functional theory: Properties and simulation strategies” [Carbon 77 (2014) 1168–1182](S000862231400606X)(10.1016/j.carbon.2014.06.060);Atomic and electronic structure of tetrahedral amorphous carbon surfaces from density functional theory: Properties and simulation strategies

Carbon

Volumn 77, Issue , 2014, Pages 1168-1182

  Caro, Miguel A ^a   Zoubkoff, Rémi ^a   Lopez Acevedo, Olga ^a   Laurila, Tomi ^a  

^a AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS CARBON; ATOMS; CHAINS; COMPUTATION THEORY; ELECTRONIC STRUCTURE;

AROMATIC RING STRUCTURE; COMPUTATIONAL STUDIES; DEGREE OF LOCALIZATION; MORPHOLOGICAL FEATURES; PARTICIPATION RATIOS; RECONSTRUCTED SURFACES; SIMULATION STRATEGIES; TETRAHEDRAL AMORPHOUS CARBON;

DENSITY FUNCTIONAL THEORY;

EID: 84907197838     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2014.10.038     Document Type: Erratum

References (47)

1. J. Robertson Mater Sci Eng R37 2002 129
2. A.V. Krasheninnikov, and K. Nordlund J Appl Phys 107 2010 071301
3. Kaivosoja E, Berg E, Rautiainen A, Palomäki T, Koskinen J, Paulasto-Kröckel M, et al. In: Engineering in Medicine and Biology Society (EMBC) 2013, 35th annual international conference of the IEEE; 2013. p. 632.
4. J. Tersoff Phys Rev Lett 61 1988 2879
5. J. Robertson, and E.P. O'Reilly Phys Rev B35 1987 2946
6. T. Frauenheim, G. Jungnickel, T. Köhler, and U. Stephan J Non-Cryst Solids 182 1995 186
7. W. Kohn, and L.J. Sham Phys Rev 140 1965 A1133
8. P. Hohenberg, and W. Kohn Phys Rev 136 1964 B864
9. J.P. Perdew, K. Burke, and M. Ernzerhof Phys Rev Lett 77 1996 3865
10. vienna Ab initio Simulation Package (vasp). < http://www.vasp.at > [see also on line documentation].
11. G. Kresse, and J. Furthmüller Phys Rev B54 1996 11169
12. P.E. Blöchl Phys Rev B50 1994 17953
13. G. Kresse, and D. Joubert Phys Rev B59 1999 1758
14. H.J. Monkhorst, and J.D. Pack Phys Rev B13 1976 5188
15. A.C. Ferrari, A. Libassi, B.K. Tanner, V. Stolojan, J. Yuan, and L.M. Brown et al. Phys Rev B62 2000 11089
16. N.A. Marks, D.R. McKenzie, B.A. Pailthorpe, M. Bernasconi, and M. Parrinello Phys Rev B 54 1996 9703
17. N.A. Marks, N.C. Cooper, D.R. McKenzie, D.G. McCulloch, P. Bath, and S.P. Russo Phys Rev B65 2002 075411
18. J. Han, W. Gao, J. Zhu, S. Meng, and W. Zheng Phys Rev B75 2007 55418
19. R. Car, and M. Parrinello Phys Rev Lett 55 1985 2471
20. P. Kowalczyk, P.A. Gauden, and A.P. Terzyk RSC Adv 2 2012 4292
21. K.W.R. Gilkes, P.H. Gaskell, and J. Robertson Phys Rev B51 1995 12303
22. Zoubkoff R, Caro MA, Laurila T, López-Acevedo O. in preparation.
23. A.C. Ferrari, and J. Robertson Phys Rev B 61 2000 14095
24. A.C. Ferrari, and J. Robertson Phys Rev B 64 2001 075414
25. A.C. Ferrari, and J. Robertson Philos Trans R Soc A 362 2004 2477
26. D.S. Franzblau Phys Rev B 44 1991 4925
27. X. Yuan, and A.N. Cormack Comput Mater Sci 24 2002 343
28. Rigorous Investigation of Networks Generated using Simulations code (rings). < http://rings-code.sourceforge.net/ > [see also on line documentation].
29. S.L. Roux, and P. Jund Comput Mater Sci 49 2010 70
30. S.L. Roux, and P. Jund Comput Mater Sci 50 2011 1217
31. N. Wang, and K. Komvopoulos J Phys D: Appl Phys 47 2014 245303
32. J.K. Walters, and R.J. Newport J Phys: Condens Matter 7 1995 1755
33. See, for instance, the gpaw documentation at < http://wiki.fysik.dtu. dk/gpaw/ > and on Mortensen JJ, Hansen LB, Jacobsen KW. Phys Rev B 2005;71:035109.
34. T. Laurila, A. Rautiainen, S. Sintonen, H. Jiang, E. Kaivosoja, and J. Koskinen Mater Sci Eng C 34 2014 446
35. G. Kern, J. Hafner, and G. Kresse Surf Sci 366 1996 445
36. M. Kaukonen, R.M. Nieminen, S. Pöykkö, and A.P. Seitsonen Phys Rev Lett 83 1999 5346
37. A. Kokalj Comput Mater Sci 28 2003 155 Code available from < http://www.xcrysden.org/ >
38. S.R. Bahn, and K.W. Jacobsen Comput Sci Eng 4 2002 56
39. C.W. Chen, and J. Robertson Diam Relat Mater 15 2006 936
40. J. Dong, and D.A. Drabold Phys Rev B57 1998 15591
41. P. Kelires J Non-Cryst Solids 227-230 1998 597
42. G.A. Tritsaris, C. Mathioudakis, P.C. Kelires, and E. Kaxiras J Appl Phys 112 2012
43. A. Ilie, A. Hart, A.J. Flewitt, J. Robertson, and W.I. Milne J Appl Phys 88 2000 6002
44. C.J. Fall, N. Binggeli, and A. Baldereschi J Phys: Condens Matter 11 1999 2689
45. Kelly BT. Physics of graphite, vol. 3. Applied Science London; 1981.
46. P.C. Kelires Phys Rev Lett 73 1994 2460
47. P.J. Fallon, V.S. Veerasamy, C.A. Davis, J. Robertson, G.A.J. Amaratunga, and W.I. Milne et al. Phys Rev B 48 1993 4777