Phase stabilities and spinodal decomposition in the Cr1-xAlxN system studied by ab initio LDA and thermodynamic modeling: Comparison with the Ti1-xAlxN and TiN/Si3N4 systems

Acta Materialia

Volumn 55, Issue 14, 2007, Pages 4615-4624

  Zhang, R F ^a   Veprek, S ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Ab initio electron theory; Modeling; Nanocomposite; Spinoidal decomposition; Thermodynamics

Indexed keywords

ELECTRON THEORY; PHASE SEGREGATION;

COMPUTER SIMULATION; NANOCOMPOSITES; PHASE STABILITY; SILICON NITRIDE; SPINODAL DECOMPOSITION; THERMODYNAMICS; TITANIUM NITRIDE;

CHROMIUM COMPOUNDS;

EID: 34447332217     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2007.04.029     Document Type: Article

References (88)

1. Hugosson H.W., Jansson U., Johansson B., and Eriksson O. Science 293 (2001) 2434
2. Hugosson H.W., Hogberg H., Algren M., Rodmar M., and Selinder T.I. J Appl Phys 93 (2003) 15
3. Spencer P.J. Thermochimica 314 (1998) 1
4. Spencer P.J. CALPHAD 25 (2001) 163-174
5. Zhang R.F., and Veprek S. Mater Sci Eng A 424 (2006) 128
6. Veprek S., Haussmann M., and Reiprich S. J Vac Sci Technol A 14 (1996) 46
7. Veprek S. J Vac Sci Technol A 17 (1999) 2401
8. Veprek S., Veprek-Heijman M.G.J., Karvankova P., and Prochazka J. Thin Solid Films 476 (2005) 1
9. de Fontaine D. In: Seitz F., and Turnbull D. (Eds). Solid state physics vol. 47 (1994), Academic, New York 33
10. Curtarolo S., Morgan D., and Ceder G. CALPHAD 29 (2005) 163
11. Zhang R.F., Kong L.T., Gong H.R., and Liu B.X. J Phys: Condens Matter 16 (2004) 5251
12. Zhang R.F., Shen Y.X., Yan H.F., and Liu B.X. J Phys Chem B 109 (2005) 4391
13. Zhang R.F., and Veprek S. Mater Sci Eng A 448 (2007) 111
14. Mayrhofer P.H., Music D., and Schneider J.M. Appl Phys Lett 88 (2006) 071922
15. Kawate M., Hashimoto A.K., and Suzuki T. Surf Coat Technol 165 (2003) 163
16. Park J.K., and Baik Y.J. Surf Coat Technol 200 (2005) 1519
17. Ding X.Z., and Zeng X.T. Surf Coat Technol 200 (2005) 1372
18. Reitera A.E., Derflingera T.V.H., Hanselmanna B., Bachmanna T., and Sartory B. Surf Coat Technol 200 (2005) 2114
19. Makino Y. ISIJ Int 38 (1998) 925
20. Sugishima A., and Kajioka H. Surf Coat Technol 97 (1997) 590
21. Makino Y., and Nogi K. Surf Coat Technol 98 (1998) 1008
22. Kawate M., Kimura A., and Suzuki T. J Vac Sci Technol A 20 (2002) 569
23. Hasegawa H., Kawate M., and Suzuki T. Surf Coat Technol 200 (2005) 2409
24. Sanjines R., Banakh O., Rojas C., Schmid P.E., and Levy F. Thin Solid Films 494 (2002) 312
25. Hirai M., Ueno Y., Suzuki T., Jiang W., Grigoriu C., and Yatsui K. Jpn J Appl Phys 40 (2000) 1056
26. Makino Y. Surf Coat Technol 193 (2005) 185
27. Sugishima A., Kajioka H., and Makino Y. Surf Coat Technol 97 (1997) 590
28. Mayrhofer P.H., Hörling A., Karlssson L., Sjölén J., Larsson T., Mitterer C., et al. Appl Phys Lett 83 (2003) 2049
29. Kim G.S., Lee S.Y., Hahn J.H., and Lee S.Y. Surf Coat Technol 171 (2003) 91
30. Lee S.H., Kim B.J., Kim H.H., and Lee J.J. J Appl Phys 80 (1996) 1469
31. Tien S.K., and Duh J.G. Thin Solid Films 494 (2006) 173
32. Kresse G., and Hafner J. Phys Rev B 47 (1993) 558
33. Kresse G., and Hafner J. Phys Rev B 49 (1994) 14 251
34. Kresse G., and Furthmüller J. Comput Mater Sci 6 (1996) 15
35. Kresse G., and Furthmüller J. Phys Rev B 54 (1996) 11169
36. Vanderbilt D. Phys Rev B 41 (1990) 7892
37. Ceperley D.M., and Adler B.J. Phys Rev Lett 45 (1980) 566
38. Perdew J.P., and Wang Y. Phys Rev B 45 (1992) 13244
39. Monkhorst H.J., and Pack J.D. Phys Rev B 13 (1976) 5188
40. Hillert M. Phase equilibria, phase diagrams, and phase transformations: their thermodynamic basis (1998), Cambridge University Press, Cambridge
41. Hillert M., and Staffansson L.I. Acta Chem Scand 24 (1970) 3618
42. Redlich O., and Kister A. Ind Eng Chem 40 (1948) 345
43. Saunders N, Miodownik AP. CALPHAD (calculation of phase diagrams): a comprehensive guide. Exeter, Pergamon Materials Series, vol. 1; 1998.
44. Kubaschewski O., Smith J.F., and Bailey D.M. Z Metallkd 68 (1977) 529
45. Hasebe M., and Nishizawa T. CALPHAD 4 (1981) 83
46. Chuang Y.Y., Schimid R., and Chang Y.A. Metall Trans A 15 (1984) 1921
47. Chen Q., and Jin Z. Metal Mater Trans A 26 (1995) 417
48. Turchanin M.A., Agraval P.G., and Nikolaenko I.V. J Phase Equilib 24 (2003) 307
49. Schönberg N. Acta Chem Scand 8 (1954) 213
50. Burton B.P., Dupin N., and Fries S.G. Z Metallkd 92 (2001) 514
51. Barin I. Thermochemical data of pure substances. 2nd ed. (1993), VCH, Weinheim
52. Holleck H. Surf Coat Technol 36 (1988) 151
53. Stolten H. Doctoral thesis, RTWH, Aachen; 1991.
54. Spencer P.J., and Holleck H. High Temp Sci 27 (1990) 295
55. Spencer P.J. J Therm Anal 41 (1994) 1305
56. Anderbouhr S., Gilles S., Blanquet E., Bernard C., and Madar R. Chem Vapor Depos 5 (1999) 109
57. Holleck H. J Vac Sci Technol A 4 (1986) 2661
58. Ikeda T., and Satoh H. Thin Solid Films 195 (1991) 99
59. Wahlstrom U., Hultman L., Sundgren J.E., Adibi F., Petrov I., and Greene J.E. Thin Solid Films 235 (1993) 62
60. Musil J., and Hruby H. Thin Solid Films 365 (2000) 104
61. Shimada S., and Yoshimatsu M. Thin Solid Films 370 (2000) 146
62. Ikeda S., Gilles S., and Chenevier B. Thin Solid Films 315 (1998) 257
63. Banakh O., Schmid P.E., Sanjines R., and Levy F. Surf Coat Technol 163-164 (2003) 57
64. Kawate M., Kimura A., and Suzuki T. Surf Coat Technol 165 (2003) 163
65. PalDey S., and Deevi S.C. Mater Sci Eng A 342 (2003) 358
66. Spencer P.J. Z Metallkd 92 (2001) 1145
67. Hillert M., Cohen M., and Averbach B.L. Acta Metall 9 (1961) 536
68. Ditchek B., and Schwartz L.H. Annu Rev Mater Sci 9 (1979) 219
69. Cahn J.W., and Hillard J.E. J Chem Phys 28 (1958) 258
70. Cahn J.W. Acta Metall 9 (1961) 795
71. Cahn J.W. Acta Metall 11 (1963) 1275
72. Cahn J.W. Trans Metall Soc AIME 242 (1968) 166
73. Cahn J.W. Scand J Metall 20 (1991) 9
74. Porter D.A., and Easterling K.E. Phase transformations in metals and alloys. 2nd ed. (2001), Nelson Thornes, Cheltenham
75. Pinardi K., Jain U., Jain S.C., Maes H.E., Overstraeten R.V., and Willander M. J Appl Phys 83 (1998) 4724
76. Jain S.C., Harker A.H., and Cowley R.A. Philos Mag A 75 (1997) 1461
77. Jain S.C. Germanium-silicon strained layers and heterostructures. Advances in electronics and electron physics series (supplement 24) (1994), Academic Press, Boston (MA)
78. Madan A., Kim I.W., Cheng S.C., Yashar P., Dravid V.P., and Barnett S.A. Phys Rev Lett 78 (1997) 1743
79. McIntyre D., Greene J.E., Hakansson G., Sundgren J.E., and Munz W.D. J Appl Phys 67 (1990) 1542
80. Xia Q., Xia H., and Ruoff A. J Appl Phys 73 (1993) 8198
81. Männling H.D., Patil D.S., Moto K., Jilek M., and Veprek S. Surf Coat Technol 146-147 (2001) 263
82. Veprek S., Männling H.D., Jilek M., and Holubar P. Mater Sci Eng A 366 (2004) 202
83. Li S.Z., Fang Q.F., Liu Q., Li Z.S., Gao J., Nesladek P., et al. Compos Sci Technol 65 (2005) 735
84. Suzuki T., Makino Y., Samandi M., and Miyake S. J Mater Sci 35 (2000) 4193
85. Heau C., and Terrat J.P. Surf Coat Technol 108-109 (1998) 332
86. Prochazka J., Karvankova P., Veprek-Heijman M.G.J., and Veprek S. Mater Sci Eng A 384 (2004) 102
87. Prochazka J. PhD thesis, Technical University Munich; 2003. [http://tumb1.biblio.tu-muenchen.de/publ/diss/ch/2003/prochazka.pdf].
88. Karvankova P., Veprek-Heijman M.G.J., Azinovic D., and Veprek S. Surf Coat Technol 200 (2006) 2978