Metastability of an immiscible Cu-Mo system calculated from first-principles and a derived n-body potential

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 2, 2004, Pages

  Gong, H R ^a   Kong, L T ^a   Liu, B X ^a,b  

^a TSINGHUA UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; MOLYBDENUM;

AB INITIO CALCULATION; ARTICLE; CRYSTAL; ENERGY; MISCIBILITY; MOLECULAR DYNAMICS; SIMULATION;

EID: 1442288073     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.024202     Document Type: Article

References (48)

1. B. X. Liu, W. S. Lai, and Q. Zhang: Mater. Sci. Eng., R. 29, 1 (2000).
2. F. R. deBoer, R. Boom, W. C. M. Mattens, A. R. Miedema, and A. K. Niessen, Cohesion in Metals: Transition Metal Alloys (North-Holland, Amsterdam, 1989).
3. E. F. Kneller: J. Appl. Phys. 35, 2210 (1964).
4. M. J. Tenwick and H. A. Davies: Mater. Sci. Eng. 98, 543 (1988).
5. T. E. Mitchell, Y. C. Lu, A. J. Griffin Jr., M. Nastasi, and H. Kung: J. Am. Ceram. Soc. 80, 1673 (1997).
6. J. A. Alonso, L. J. Gallego, and J. A. Simozar: Nuovo Cimento 12, 587 (1990).
7. A. G. Dirks and J. J. Van den Broek: J. Vac. Sci. Technol. A 3, 2618 (1985).
8. P. Djemia, F. Ganot, P. Moch, V. Branger, and P. Goudeau: J. Appl. Phys. 90, 756 (2001).
9. L.-Chung Yang and A. Rockett: J. Appl. Phys. 75, 1185 (1994).
10. J. P. Chu and T. N. Lin: J. Appl. Phys. 85, 6462 (1999).
11. G. Ramanath, H. Z. Xiao, L. C. Yang, A. Rockett, and L. H. Allen: J. Appl. Phys. 78, 2435 (1995).
12. O. Alvarez-Fregoso, S. López, J. A. Juárez-Islas, M. García, E. Martíinez, M. A. Alvarez-Pérez, J. Ch. Ramírez, and S. Granados: Phys. Status Solidi B 220, 575 (2000).
13. D. E. Luzzi, M. Yan, M. Šob, and V. Vitek: Phys. Rev. Lett. 67, 1894 (1991).
14. M. Yan, M. Šob, D. E. Luzzi, V. Vitek, G. J. Ackland, M. Methfessel, and C. O. Rodriguez: Phys. Rev. B 47, 5571 (1993).
15. R. Siegl, M. Yan, and V. Vitek: Model. Simul. Mater. Sci. Eng. 5, 105 (1997).
16. G. Kresse and J. Hafner: Phys. Rev. B 47, 558 (1993).
17. D. Vanderbilt: Phys. Rev. B 41, 7892 (1990).
18. J. Perdew and Y. Wang: Phys. Rev. B 45, 13 244 (1992).
19. H. J. Monkhorst and J. D. Pack: Phys. Rev. B 13, 5188 (1976).
20. B. X. Liu, L. J. Huang, K. Tao, C. H. Shang, and H-D. Li: Phys. Rev. Lett. 59, 745 (1987).
21. C. B. Shoemaker and D. P. Shoemaker: J. Appl. Crystallogr. 16, 997 (1963).
22. H. Z. Xiao, L.-Chung Yang, S. L. Lai, Z. Ma, and A. Rockett: Scr. Metall. Mater. 32, 353 (1995).
23. Ph. Goudeau, J. Mimault, Th. Girardeau, K. Reklaoui, O. Proux, and V. Branger: Thin Solid Films 275, 25 (1996).
24. Y. S. Shi, D. Qian, G. S. Gong, X. F. Jin, and D. S. Wang: Phys. Rev. B 65, 172410 (2002).
25. M. Parrinello and A. Rahman: J. Appl. Phys. 52, 7182 (1981).
26. S. R. Phillpot, S. Yip, and D. Wolf: Comput. Phys. 3, 20 (1989).
27. Y. Waseda, The Structure of Non-Crystalline Materials: Liquid and Amorphous Solids (McGraw-Hill, New York, 1980).
28. V. Rosato, G. Ciccotti, and V. Pontikis: Phys. Rev. B 33, 1860 (1986).
29. Y. G. Chen and B. X. Liu: J. Appl. Phys. 82, 3815 (1997).
30. M. S. Daw and I. Baskes: Phys. Rev. Lett. 50, 1285 (1983).
31. R. A. Johnson and D. J. Oh: J. Mater. Res. 4, 1195 (1989).
32. J. Cai and Y. Y. Ye: Phys. Rev. B 54, 8398 (1997).
33. A. M. Guellil and J. B. Adams: J. Mater. Res. 7, 639 (1992).
34. J. H. Rose, J. R. Smith, F. Guinea, and J. Ferrante: Phys. Rev. B 29, 2963 (1984).
35. Metal Reference Book, 5th ed., edited by C. J. Smith (Butterworths, London, 1976).
36. C. Kittel, Introduction to Solid-State Physics, 4th ed. (Wiley, New York, 1971).
37. G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook, 2nd ed. (MIT, Cambridge, MA, 1971).
38. R. W. Balluffi: J. Nucl. Mater. 69&70, 240 (1978).
39. R. W. Balluffi: American Institute of Physics Handbook (McGraw-Hill, New York, 1957).
40. P. Bujard, Ph.D. thesis, University of Geneva, 1982.
41. B. J. Lee, M. I. Bakes, H. Kim, and Y. K. Cho: Phys. Rev. B 64, 184102 (2001).
42. J. K. Chen, D. Farkas, and W. T. Reynolds Jr.: Acta Mater. 45, 4415 (1997).
43. F. Ercolessi and J. B. Adams: Europhys. Lett. 26, 583 (1994).
44. H. R. Gong, L. T. Kong, W. S. Lai, and B. X. Liu: Phys. Rev. B 66, 104204 (2002).
45. M. J. Mehl, J. E. Osburn, D. A. Papaconstantopoulos, and B. M. Klein: Phys. Rev. B 41, 10 311 (1990).
46. S. Chantasiriwan and F. Milstein: Phys. Rev. B 53, 14 080 (1996).
47. B. X. Liu, W. S. Lai, and Z. J. Zhang: Adv. Phys. 50, 367 (2001).
48. Y. G. Chen and B. X. Liu: J. Alloys Compd. 261, 217 (1997).