Skip to main content
SpringerLink
Log in
Book cover

Computer-Based Modeling of Novel Carbon Systems and Their Properties pp 129–169Cite as

Amorphous Carbon and Related Materials

  • Chapter
  • First Online:

Part of the book series: Carbon Materials: Chemistry and Physics ((CMCP,volume 3))

Abstract

Amorphous carbons have attracted enormous experimental, theoretical and computational interest over the past two decades. This chapter explains how computer simulation has contributed to the understanding of these important materials. The principle themes are (i) the necessity of accurate interaction potentials, (ii) the ability of computer simulation to discern between competing theoretical models, and (iii) the need to quantify timescales when comparing experiment and simulation. Common methodologies such as liquid quenching and thin-film deposition are explained, and major successes in reproducing experimental behaviour are discussed. Connections are also established between amorphous carbons and related materials such as glassy carbon and hydrogenated amorphous carbon. Finally, unsolved problems and opportunities for future research are identified.

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD   109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

References

  1. Harris PJF (2001) Interdiscipl Sci Rev 26(3):204

    Article  Google Scholar 

  2. Franklin RE (1951) Proc Roy Soc A 209(1097):196

    Article  CAS  Google Scholar 

  3. Ban LL, Crawford D, Marsh H (1975) J Appl Crystallogr 8:415

    Article  Google Scholar 

  4. Jenkins GM, Kawamura K (1971) Nature 231:175

    Article  CAS  Google Scholar 

  5. Crawford D, Johnson DJ (1971) J Microsc 94:51

    Article  Google Scholar 

  6. Harris PJF (2004) Phil Mag 84(29):3159

    Article  CAS  Google Scholar 

  7. Kumar A, Lobo R, Wagner N (2005) Carbon 43(15):3099

    Article  CAS  Google Scholar 

  8. Shi Y (2008) J Chem Phys 128(23):234707

    Article  CAS  Google Scholar 

  9. Powles RC, Marks NA, Lau DWM (2009) Phys Rev B 79:075430

    Article  CAS  Google Scholar 

  10. McKenzie DR, Muller D, Pailthorpe BA (1991) Phys Rev Lett 67(6):773

    Article  CAS  Google Scholar 

  11. Aisenberg S, Chabot J (1971) Appl Phys Lett 42:2953

    CAS  Google Scholar 

  12. Askenov II, Belous VA, Padalka VG, Khoroshikh VM (1978) Sov J Plasma Phys 4:425

    Google Scholar 

  13. Askenov II, Vakula SI, Padalka VG, Strelnitskii VE, Khoroshikh VM (1980) Sov Phys Tech Phys 25:1164

    Google Scholar 

  14. Angus JC, Hayman CC (1988) Science 241(4868):913

    Article  CAS  Google Scholar 

  15. Grill A (1999) Diam Relat Mater 8(2-5):428

    Article  CAS  Google Scholar 

  16. Hofsäss H, Feldermann H, Merk R, Sebastian M, Ronning C (1998) Appl Phys A-Mater 66(2):153

    Article  Google Scholar 

  17. Fallon PJ, Veerasamy VS, Davis CA, Robertson J, Amaratunga GAJ, Milne WI, Koskinen J (1993) Phys Rev B 48(7):4777

    Article  CAS  Google Scholar 

  18. Lifshitz Y, Lempert GD, Rotter S, Avigal I, Uzans-aguy C, Kalish R, Kulik J, Marton D, Rabalais JW (1994) Diam Relat Mater 3(4–6):542

    Article  CAS  Google Scholar 

  19. Grossman E, Lempert GD, Kulik J, Marton D, Rabalais JW, Lifshitz Y (1996) Appl Phys Lett 68(9):1214

    Article  CAS  Google Scholar 

  20. Schwan J, Ulrich S, Roth H, Ehrhardt H, Silva SRP, Robertson J, Samlenski R, Brenn R (1996) J Appl Phys 79(3):1416

    Article  CAS  Google Scholar 

  21. Pappas DL, Saenger KL, Bruley J, Krakow W, Cuomo JJ, Gu T, Collins RW (1992) J Appl Phys 71(11):5675

    Article  CAS  Google Scholar 

  22. Marks NA (2005) Diam Relat Mater 14(8):1223

    Article  CAS  Google Scholar 

  23. Lifshitz Y, Kasi SR, Rabalais JW (1989) Phys Rev Lett 62(11):1290

    Article  CAS  Google Scholar 

  24. Lifshitz Y, Kasi SR, Rabalais JW, Eckstein W (1990) Phys Rev B 41(15):10468

    Article  CAS  Google Scholar 

  25. Lifshitz Y, Lempert GD, Grossman E (1994) Phys Rev Lett 72(17):2753

    Article  CAS  Google Scholar 

  26. Robertson J (1993) Diam Relat Mater 2:984

    Article  CAS  Google Scholar 

  27. Robertson J (1994) Diam Relat Mater 3:361

    Article  CAS  Google Scholar 

  28. Davis CA (1993) Thin Solid Films 226(1):30

    Article  CAS  Google Scholar 

  29. Koponen I, Hakovirta M, Lappalainen R (1995) J Appl Phys 78(9):5837

    Article  CAS  Google Scholar 

  30. Lau DWM, McCulloch DG, Taylor MB, Partridge JG, McKenzie DR, Marks NA, Teo EHT, Tay BK (2008) Phys Rev Lett 100(17):4

    Article  CAS  Google Scholar 

  31. Ferrari AC, Rodil SE, Robertson J, Milne WI (2002) Diam Relat Mater 11(3–6):994

    Article  CAS  Google Scholar 

  32. Alam TM, Friedmann TA, Schultz PA, Sebastiani D (2003) Phys Rev B 67(24):245309

    Article  CAS  Google Scholar 

  33. Chhowalla M, Robertson J, Chen CW, Silva SRP, Davis CA, Amaratunga GAJ, Milne WI (1997) J Appl Phys 81:139

    Article  CAS  Google Scholar 

  34. Hirvonen JP, Koskinen J, Kaukonen M, Nieminen R, Scheibe HJ (1997) J Appl Phys 81:7248

    Article  CAS  Google Scholar 

  35. Koskinen J, Hirvonen JP, Keränen J (1998) J Appl Phys 84:648

    Article  CAS  Google Scholar 

  36. Tay BK, Shi X, Liu EJ, Tan HS, Cheah LK (1999) Thin Solid Films 346(1-2):155

    Article  CAS  Google Scholar 

  37. Ferrari AC, Kleinsorge B, Morrison NA, Hart A, Stolojan V, Robertson J (1999) J Appl Phys 85:7191

    Article  CAS  Google Scholar 

  38. Tay BK, Sheeja D, Lau SP, Shi X, Seet BC, Yeo YC (2000) Surf Coat Tech 130(2-3):248

    Article  CAS  Google Scholar 

  39. Robertson J (2002) Mat Sci Eng R 37(4-6):129

    Article  Google Scholar 

  40. McKenzie DR (1996) Rep Prog Phys 59(12):1611

    Article  CAS  Google Scholar 

  41. Silva SRP (ed) (2003) Properties of amorphous carbon (INSPEC, 2003)

    Google Scholar 

  42. Car R, Parrinello M (1985) Phys Rev Lett 55(22):2471

    Article  CAS  Google Scholar 

  43. Abell GC (1985) Phys Rev B 31(10):6184

    Article  CAS  Google Scholar 

  44. Tersoff J (1986) Phys Rev Lett 56(6):632

    Article  CAS  Google Scholar 

  45. Tersoff J (1988) Phys Rev Lett 61(25):2879

    Article  CAS  Google Scholar 

  46. Tersoff J (1988) Phys Rev B 37(12):6991

    Article  Google Scholar 

  47. Brenner DW (1990) Phys Rev B 42(15):9458

    Article  CAS  Google Scholar 

  48. Brenner DW (1992) Phys Rev B 46:1948

    Article  CAS  Google Scholar 

  49. Brenner DW, Shenderova OA, Harrison JA, Stuart SJ, Ni B, Sinnott SB (2002) J Phys Condens Mat 14(4):783

    Article  CAS  Google Scholar 

  50. Brenner DW (2000) Phys Status Solidi B 217(1):23

    Article  CAS  Google Scholar 

  51. Cooper NC, Fagan MS, Goringe CM, Marks NA, McKenzie DR (2002) J Phys Condens Mat 14(4):723

    Article  CAS  Google Scholar 

  52. Jäger HU, Albe K (2000) J Appl Phys 88:1129

    Article  Google Scholar 

  53. Nordlund K, Keinonen J, Mattila T (1996) Phys Rev Lett 77(4):699

    Article  CAS  Google Scholar 

  54. Broughton JQ, Mehl MJ (1999) Phys Rev B 59(14):9259

    Article  CAS  Google Scholar 

  55. Kumagai T, Hara S, Choi J, Izumi S, Kato T (2009) J Appl Phys 105(6):064310

    Article  CAS  Google Scholar 

  56. Stuart S, Tutein A, Harrison J (2000) J Chem Phys

    Google Scholar 

  57. Stuart SJ, Knippenberg MT, Kum O, Krstic PS (2006) Phys Scr T124:58

    Article  CAS  Google Scholar 

  58. Liu A, Stuart SJ (2008) J Comput Chem 29(4):601

    Article  CAS  Google Scholar 

  59. Marks NA (2000) Phys Rev B 63(3):7

    Article  CAS  Google Scholar 

  60. Marks N (2002) J Phys Condens Mat 14(11):2901

    Article  CAS  Google Scholar 

  61. Bazant MZ, Kaxiras E, Justo JF (1997) Phys Rev B 56(14):8542

    Article  CAS  Google Scholar 

  62. Justo JF, Bazant MZ, Kaxiras E, Bulatov VV, Yip S (1998) Phys Rev B 58(5):2539

    Article  CAS  Google Scholar 

  63. van Duin ACT, Dasgupta S, F. Lorant, W.A. Goddard (2001) J Phys Chem A 105(41):9396

    Google Scholar 

  64. Higginbottom P, Marks NA (2009, unpublished)

    Google Scholar 

  65. van Duin ACT, Strachan A, Stewman S, Zhang QS, Xu X, Goddard III WA (2003) J Phys Chem A 107(19):3803

    Article  CAS  Google Scholar 

  66. Cheung S, Deng WQ, van Duin ACT, Goddard III WA (2005) J Phys Chem A 109(5):851

    Article  CAS  Google Scholar 

  67. Nielson KD, van Duin ACT, Oxgaard J, Deng WQ, Goddard III WA (2005) J Phys Chem A 109(3):493

    Article  CAS  Google Scholar 

  68. Los JH, Ghiringhelli LM, Meijer EJ, Fasolino A (2005) Phys Rev B 72(21):14

    Article  CAS  Google Scholar 

  69. Los JH, Fasolino A (2003) Phys Rev B 68(2):14

    Article  CAS  Google Scholar 

  70. Los JH, Ghiringhelli LM, Meijer EJ, Fasolino A (2006) Phys Rev B 73(22):1

    Article  CAS  Google Scholar 

  71. Marks NA, McKenzie DR, Pailthorpe BA, Bernasconi M, Parrinello M (1996) Phys Rev Lett 76(5):768

    Article  CAS  Google Scholar 

  72. McCulloch DG, McKenzie DR, Goringe CM (2000) Phys Rev B 61(3):2349

    Article  CAS  Google Scholar 

  73. Han J, Gao W, Zhu J, Meng S (2007) Phys Rev B 75(15):1

    Article  CAS  Google Scholar 

  74. Sankey OF, Niklewski DJ (1989) Phys Rev B 40(6):3979

    Article  Google Scholar 

  75. Porezag D, Frauenheim T, Köhler T, Seifert G, Kaschner R (1995) Phys Rev B 51(19):12947

    Article  CAS  Google Scholar 

  76. Frauenheim T, Seifert G, Elstner M, Niehaus T, Köhler C, Amkreutz M, Sternberg M, Hajnal Z, Di Carlo A, Suhai S (2002) J Phys Condens Mat 14(11):3015

    Article  CAS  Google Scholar 

  77. Tang MS, Wang CZ, Chan CT, Ho KM (1996) Phys Rev B 53(3):979

    Article  CAS  Google Scholar 

  78. Xu CH, Wang CZ, Chan CT, Ho KM (1992) J Phys Condens Mat 4(28):6047

    Article  CAS  Google Scholar 

  79. Pettifor DG, Oleinik II (1999) Phys Rev B 59(13):8487

    Article  CAS  Google Scholar 

  80. Oleinik II, Pettifor DG (1999) Phys Rev B 59(13):8500

    Article  CAS  Google Scholar 

  81. Mrovec M, Moseler M, Elsaesser C, Gumbsch P (2007) Prog Mater Sci 52(2-3):230

    Article  CAS  Google Scholar 

  82. Wang CZ, Ho KM (1994) Phys Rev B 50(17):12429

    Article  CAS  Google Scholar 

  83. Stephan U, Haase M (1993) J Phys Condens Mat 5(49):9157

    Article  CAS  Google Scholar 

  84. Marks NA, Cooper NC, McKenzie DR, McCulloch DG, Bath P, Russo SP (2002) Phys Rev B 65(7):9

    Article  CAS  Google Scholar 

  85. Wooten F, Winer K, Weaire D (1985) Phys Rev Lett 54(13):1392

    Article  CAS  Google Scholar 

  86. Drabold DA (2009) Eur Phys J B 68(1):1

    Article  CAS  Google Scholar 

  87. Kelires PC (1992) Phys Rev Lett 68(12):1854

    Article  CAS  Google Scholar 

  88. Galli G, Martin RM, Car R, Parrinello M (1989) Phys Rev Lett 62(5):555

    Article  CAS  Google Scholar 

  89. Galli G, Martin RM, Car R, Parrinello M (1990) Phys Rev B 42(12):7470

    Article  CAS  Google Scholar 

  90. Marks NA, McKenzie DR, Pailthorpe BA, Bernasconi M, Parrinello M (1996) Phys Rev B 54(14):9703

    Article  CAS  Google Scholar 

  91. Marks NA (1997) Phys Rev B 56(5):2441

    Article  CAS  Google Scholar 

  92. Drabold DA, Fedders PA, Stumm P (1994) Phys Rev B 49(23):16415

    Article  Google Scholar 

  93. Cobb M, Drabold DA, Cappelletti RL (1996) Phys Rev B 54(17):12162

    Article  CAS  Google Scholar 

  94. Schultz PA, Leung K, Stechel EB (1999) Phys Rev B 59(2):733

    Article  CAS  Google Scholar 

  95. Chen X, Sullivan JP, Friedmann TA, Gibson JM (2004) Appl Phys Lett 84(15):2823

    Article  CAS  Google Scholar 

  96. Johnson JA, Woodford JB, Chen XD, Andersson J, Erdemir A, Fenske GR (2004) J Appl Phys 95(12):7765

    Article  CAS  Google Scholar 

  97. McBride WE, McKenzie DR, McCulloch DG, Cockayne DJH, Petersen TC (2005) J Non-Cryst Solids 351(5):413

    Article  CAS  Google Scholar 

  98. Drabold DA, Fedders PA, Grumbach MP (1996) Phys Rev B 54(8):5480

    Article  CAS  Google Scholar 

  99. Schultz PA, Stechel EB (1998) Phys Rev B 57(6):3295

    Article  CAS  Google Scholar 

  100. Titantah JT, Lamoen D (2004) Phys Rev B 70(7):1

    Article  CAS  Google Scholar 

  101. Titantah JT, Lamoen D (2008) J Phys Condens Mat 20(3):035216

    Article  CAS  Google Scholar 

  102. Kelires PC (1993) Phys Rev B 47(4):1829

    Article  CAS  Google Scholar 

  103. Kelires PC (1994) Phys Rev Lett 73(18):2460

    Article  CAS  Google Scholar 

  104. Fyta MG, Remediakis IN, Kelires PC (2006) Phys Rev Lett 96(18):1

    Article  CAS  Google Scholar 

  105. Davis CA, Amaratunga GAJ, Knowles KM (1998) Phys Rev Lett 80(15):3280

    Article  CAS  Google Scholar 

  106. Lu Q, Marks N, Schatz GC, Belytschko T (2008) Phys Rev B 77(1):9

    Article  CAS  Google Scholar 

  107. Kaukonen HP, Nieminen RM (1992) Phys Rev Lett 68(5):620

    Article  CAS  Google Scholar 

  108. Ziegler JF, Biersack JP, Littmark U (1985) The Stopping and Range of Ions in Solids, vol. 1 (Pergmon, New York,)

    Google Scholar 

  109. Marks NA, McKenzie DR, Pailthorpe BA (1996) Phys Rev B 53(7):4117

    Article  CAS  Google Scholar 

  110. Jäger HU, Belov AY (2003) Phys Rev B 68(2):13

    Article  CAS  Google Scholar 

  111. Kaukonen M, Nieminen RM (2000) Phys Rev B 61(4):2806

    Article  CAS  Google Scholar 

  112. Yastrebov S, Smith R (2001) Nucl Instrum Meth B 180:145

    Article  CAS  Google Scholar 

  113. Kohary K, Kugler S (2001) Phys Rev B 63(19):1

    Article  CAS  Google Scholar 

  114. Kohary K, Kugler S (2002) J Non-Cryst Solids 299:824

    Article  Google Scholar 

  115. Marks NA, Bell JM, Pearce GK, McKenzie DR, Bilek MMM (2003) Diam Relat Mater 12(10–11):2003

    Article  CAS  Google Scholar 

  116. Zheng B, Zheng W, Yu S, Tian H, Meng F, Wang Y, Zhu J, Meng S, He X, Han J (2005) Carbon 43(9):1976

    Article  CAS  Google Scholar 

  117. Ma T, Hu YZ, Wang H, Li X (2007) Phys Rev B 75(3):1

    Article  CAS  Google Scholar 

  118. Halac EB, Reinoso M (2008) Phys Rev B 77(22):7

    Article  CAS  Google Scholar 

  119. Mathioudakis C, Kelires PC, Panagiotatos Y, Patsalas P, Charitidis C, Logothetidis S (2002) Phys Rev B 65:205203

    Article  CAS  Google Scholar 

  120. Kim KS, Lee SH, Kim YC, Lee SC, Cha PR, Lee KR (2008) Met Mater Int 14(3):347

    Article  CAS  Google Scholar 

  121. Kelires PC (1998) J Non-Cryst Solids 227:597

    Article  Google Scholar 

  122. Uhlmann S, Frauenheim T, Lifshitz Y (1998) Phys Rev Lett 81(3):641

    Article  CAS  Google Scholar 

  123. Casiraghi C, Ferrari AC, Ohr R, Flewitt AJ, Chu DP, Robertson J (2003) Phys Rev Lett 91(22):226104

    Article  CAS  Google Scholar 

  124. Pearce GK, Marks NA, McKenzie DR, Bilek MMM (2005) Diam Relat Mater 14(3–7):921

    Article  CAS  Google Scholar 

  125. Moseler M, Gumbsch P, Casiraghi C, Ferrari AC, Robertson J (2005) Science 309(5740):1545

    Article  CAS  Google Scholar 

  126. Marks NA, Cover MF, Kocer C (2006) Mol Sim 32(15):1271

    Article  CAS  Google Scholar 

  127. Marks NA, Cover MF, Kocer C (2006) Appl Phys Lett 89(13):131924

    Article  CAS  Google Scholar 

  128. Taylor MB, Lau DWM, Partridge JG, McCulloch DG, Marks NA, Teo EHT, McKenzie DR (2009) J Phys Condens Mat 21(22):225003

    Article  CAS  Google Scholar 

  129. Kaukonen MO, Nieminen RM (1995) Surf Sci 331:975

    Article  Google Scholar 

  130. Belov A, Jäger H (2003) Nucl Instr Meth B 202:242

    Article  CAS  Google Scholar 

  131. Belov A (2003) Comp Mater Sci 27(1–2):16

    Article  CAS  Google Scholar 

  132. Kim KS, Lee SC, Lee KR, Cha PR (2008) J Kor Phys Soc 52(4):1272

    Article  CAS  Google Scholar 

  133. Tersoff J (1991) Phys Rev B 44(21):12039

    Article  CAS  Google Scholar 

  134. Salonen E, Nordlund K, Keinonen J (2001) Phys Rev B 63(19):195415

    Article  CAS  Google Scholar 

  135. Kopidakis G, Wang CZ, Soukoulis CM, Ho KM (1998) Phys Rev B 58(21):14106

    Article  CAS  Google Scholar 

  136. Blaudeck P, Frauenheim T, Porezag D, Seifert G, Fromm E (1992) J Phys Condens Mat 4(30):6389

    Article  CAS  Google Scholar 

  137. Frauenheim T, Blaudeck P, Stephan U, Jungnickel G (1993) Phys Rev B 48(7):4823

    Article  CAS  Google Scholar 

  138. Frauenheim T, Jungnickel G, Stephan U, Blaudeck P, Deutschmann S, Weiler M, Sattel S, Jung K, Ehrhardt H (1994) Phys Rev B 50(11):7940

    Article  CAS  Google Scholar 

  139. Iarlori S, Galli G, Martini O (1994) Phys Rev B 49(10):7060

    Article  CAS  Google Scholar 

  140. Bilek MMM, McKenzie DR, McCulloch DG, Goringe CM (2000) Phys Rev B 62(5):3071

    Article  CAS  Google Scholar 

  141. Houska J, Klemberg-Sapieha JE, Martinu L (2009) Surf Coat Technol 203(24):3770

    Article  CAS  Google Scholar 

  142. Weiler M, Sattel S, Giessen T, Jung K, Ehrhardt H, Veerasamy V, Robertson J (1996) Phys Rev B 53(3):1594

    Article  CAS  Google Scholar 

  143. Sattel S, Robertson J, Ehrhardt H (1997) J Appl Phys 82:4566

    Article  CAS  Google Scholar 

  144. Godwin PD, Horsfield AP, Stoneham AM, Bull SJ, Ford IJ, Harker AH, Pettifor DG, Sutton AP (1996) Phys Rev B 54(22):15785

    Article  CAS  Google Scholar 

  145. Neyts E, Bogaerts A, Van De Sanden MCM (2006) Appl Phys Lett 88(14):141922

    Article  CAS  Google Scholar 

  146. Neyts E, Bogaerts A, Van De Sanden MCM (2006) J Appl Phys 99(1):014902

    Article  CAS  Google Scholar 

  147. Neyts E, Bogaerts A (2006) Phys Chem Chem Phys 8(17):2066

    Article  CAS  Google Scholar 

  148. Titantah JT, Lamoen D, Neyts E, Bogaerts A (2006) J Phys Condens Mat 18(48):10803

    Article  CAS  Google Scholar 

  149. Dartois E, noz Caro GMM, Deboffle D, Montagnac G, d’Hendecourt L (2005) Astron Astrophys 432(3):895

    Google Scholar 

  150. Ehrenfreund P, Charnley SB (2000) Annu Rev Astron Astr 38:427

    Article  CAS  Google Scholar 

  151. Davis CA, Yin Y, McKenzie DR, Hall LE, Kravtchinskaia E, Keast V, Amaratunga GAJ, Veerasamy VS (1994) J Non-Cryst Solids 170:(1), 46

    Google Scholar 

  152. Ronning C, Griesmeier U, Gross M, Hofsäss HC, Downing RG, Lamaze GP (1995) Diam Relat Mater 4(5-6):666

    Article  Google Scholar 

  153. Chhowalla M, Yin Y, Amaratunga GAJ, McKenzie DR, Frauenheim T (1996) Appl Phys Lett 69(16):2344

    Article  CAS  Google Scholar 

  154. Veerasamy VS, Yuan J, Amaratunga GAJ, Milne WI, Gilkes KWR, Weiler M, Brown LM (1993) Phys Rev B 48(24):17954

    Article  CAS  Google Scholar 

  155. Veerasamy VS, Amaratunga GAJ, Davis CA, Timbs AE, Milne WI, McKenzie DR (1993) J Phys Condens Mat 5(13):L169

    Article  CAS  Google Scholar 

  156. Kleinsorge B, Ferrari AC, Robertson J, Milne WI (2000) J Appl Phys 88:1149

    Article  CAS  Google Scholar 

  157. Sitch PK, Köhler T, Jungnickel G, Porezag D, Frauenheim T (1996) Solid State Commun 100(8):549

    Article  CAS  Google Scholar 

  158. Stumm P, Drabold DA, Fedders PA (1997) J Appl Phys 81(3):1289

    Article  CAS  Google Scholar 

  159. Pöykkö S, Kaukonen M, Puska MJ, Nieminen RM (1998) Comp Mater Sci 10(1–4):351

    Article  Google Scholar 

  160. Robertson J, Davis CA (1995) Diam Relat Mater 4(4):441

    Article  CAS  Google Scholar 

  161. Zheng B, Zheng WT, Zhang K, Wen QB, Zhu JQ, Meng SH, He XD, Han JC (2006) Carbon 44(5):962

    Article  CAS  Google Scholar 

  162. Köhler T, Jungnickel G, Frauenheim T (1999) Phys Rev B 60(15):10864

    Article  Google Scholar 

  163. Kaukonen M, Nieminen RM, Pöykkö S, Seitsonen AP (1999) Phys Rev Lett 83(25):5346

    Article  CAS  Google Scholar 

  164. Merchant AR, McKenzie DR, McCulloch DG (2001) Phys Rev B 65(2):024208

    Article  CAS  Google Scholar 

  165. Kádas K, Ferenczy GG (1999) J Mol Struc Theochem 463(1–2):175

    Article  Google Scholar 

  166. Gambirasio A, Bernasconi M (1999) Phys Rev B 60(17):12007

    Article  CAS  Google Scholar 

  167. Dai Y, Yan Y, Wang J, Sun B, He X, Shen H (2005) J Appl Phys 98(1):013525

    Article  CAS  Google Scholar 

  168. Petersen T, Yarovsky I, Snook I, McCulloch DG, Opletal G (2004) Carbon 42(12–13):2457

    Article  CAS  Google Scholar 

  169. Lawson JW, Srivastava D (2008) Phys Rev B 77(14):6

    Article  CAS  Google Scholar 

  170. McGreevey RL, Putsai L (1988) Mol Sim 1:359

    Article  Google Scholar 

  171. Walters JK, Gilkes KWR, Wicks JD, Newport RJ (1998) Phys Rev B 58(13):8267

    Article  CAS  Google Scholar 

  172. O’Malley B, Snook I, McCulloch D (1998) Phys Rev B 57(22):14148

    Article  Google Scholar 

  173. Thomson KT, Gubbins KE (2000) Langmuir 16(13):5761

    Article  CAS  Google Scholar 

  174. Pikunic J, Clinard C, Cohaut N, Gubbins KE, Guet JM, Pellenq RJM, Rannou I, Rouzaud JN (2003) Langmuir 19(20):8565

    Article  CAS  Google Scholar 

  175. Opletal G, Petersen T, O’Malley B, Snook I, McCulloch DG, Marks NA, Yarovsky I (2002) Mol Sim 28(10):927

    Article  CAS  Google Scholar 

  176. Opletal G, Petersen TC, McCulloch DG, Snook IK, Yarovsky I (2005) J Phys Condens Mat 17(17):2605

    Article  CAS  Google Scholar 

  177. Nguyen TX, Bhatia SK, Jain SK, Gubbins KE (2006) Mol Sim 32(7):567

    Article  CAS  Google Scholar 

  178. Jain SK, Pellenq RJM, Pikunic JP, Gubbins KE (2006) Langmuir 22(24):9942

    Article  CAS  Google Scholar 

  179. Nguyen TX, Cohaut N, Bae JS, Bhatia SK (2008) Langmuir 24(15):7912

    Article  CAS  Google Scholar 

  180. Harris PJF (2005) Crit Rev Solid State 30(4):235

    Article  CAS  Google Scholar 

  181. Terzyk AP, Furmaniak S, Gauden PA, Harris PJF, Włoch J, Kowalczyk P (2007) J Phys Condens Mat 19(40):406208

    Article  CAS  Google Scholar 

Download references

Acknowledgements

The author is only in the position of being able to write this account due the scientific leadership and contributions of many different individuals and groups through the years. Personal thanks go to David McKenzie at The University of Sydney, Dougal McCulloch at RMIT University, Mike Finnis (formerly at Queen’s University of Belfast), and Michelle Parrinello and Marco Bernasconi (formerly at the Max-Plank-Institute for Solid-state Physics, Stuttgart). Many other colleagues, students and co-workers also assisted in the development of ideas, computer codes and applications. Their contributions and friendship is greatly appreciated.

Author information

Authors and Affiliations

  1. Nanochemistry Research Institute, Curtin University of Technology, Perth, WA, 6845, Australia

    Nigel A. Marks

Authors
  1. Nigel A. Marks
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Nigel A. Marks .

Editor information

Editors and Affiliations

  1. Dipartimento di Fisica, Università di Cagliari, Monserrato, 09042, Cagliari, Italy

    Luciano Colombo

  2. Inst. Molecules & Materials, Radboud University of Nijmegen, Toernooiveld 1, Nijmegen, 6525 ED, Netherlands

    Annalisa Fasolino

Rights and permissions

Reprints and permissions

Copyright information

© 2010 Springer Netherlands

About this chapter

Cite this chapter

Marks, N.A. (2010). Amorphous Carbon and Related Materials. In: Colombo, L., Fasolino, A. (eds) Computer-Based Modeling of Novel Carbon Systems and Their Properties. Carbon Materials: Chemistry and Physics, vol 3. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-9718-8_5

Download citation

Publish with us

Policies and ethics

Search

Navigation