First-principles studies of the stability of Zintl ions in alkali-tin alloys: II. Liquid alloys

Journal of Physics Condensed Matter

Volumn 13, Issue 5, 2001, Pages 981-1021

  Genser, O ^a   Hafner, J ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LIQUID METALS; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; PROBABILITY DENSITY FUNCTION; TIN ALLOYS;

ALKALI-TIN ALLOYS; POLYANIONIC BONDING; ZINTL IONS;

ALKALI METAL ALLOYS;

EID: 0034819044     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/13/5/315     Document Type: Article

References (60)

1. Genser O and Hafner J 2001 J. Phys.: Condens. Matter 13
2. Zintl E and Bauer G 1933 Z. Phys. Chem. B 20 245
3. Price D L, Saboungi M L, Reijers H R J, Kearley G and White R 1991 Phys. Rev. Lett. 66 1894
4. Price D L, Saboungi M L and Howells W S 1995 Phys. Rev. B 51 14 923
5. Alblas B P, van der Lugt W, Dijkstra J, Geertsma W and van Dijk C 1983 J. Phys. F: Met. Phys. 13 2465
6. Reijers H R J, van der Lugt W and van Dijk C 1987 Physica B 144 404
7. Takeda S, Harada S, Tamaki S, Matsubara E and Waseda Y 1987 J. Phys. Soc. Japan 56 3936
8. Saboungi M L, Bromqvist R, Volin K J and Price D L 1987 J. Chem. Phys. 87 2278
9. Reijers H R J, van der Lugt W, van Dijk C and Saboungi M L 1989 J. Phys.: Condens. Matter 1 5229
10. Reijers H R J, Saboungi M L, Price D L, Richardson J W and Volin K J 1989 Phys. Rev. B 40 6018
11. Reijers H R J, Saboungi M L, Price D L and van der Lugt W 1990 Phys. Rev. B 41 5661
12. Stolz M, Leichtweiß O, Winter R, Saboungi M L, Fortner J and Howells W S 1994 Europhys. Lett. 27 221
13. Winter R 1997 Thermodynamics of Alloy Formation ed Y A Chang and F Sommer (London: The Minerals, Metals and Materials Society) p 143
14. Avci R and Flynn C P 1979 Phys. Rev. B 19 5967
15. Madel O 1999 Doctoral Thesis TU Chemnitz
16. Gremaud A et al 2001 Helv. Phys. Acta at press
17. Howe M A and McGreevy R L 199 J. Phys.: Condens. Matter 3 577
18. Stolz M, Winter R, Howells W S and McGreevy R L 1995 J. Phys.: Condens. Matter 7 5733
19. Galli G and Parrinello M 1991 J. Chem. Phys. 95 7504
20. Seifert G, Pastore G and Car R 1992 J. Phys.: Condens. Matter 4 L179
21. de Wijs G A, Pastore G, Selloni A and van der Lugt W 1993 Phys. Rev. B 48 13 459
22. de Wijs G A, Pastore G, Selloni A and van der Lugt W 1994 Europhys. Lett. 27 667 de Wijs G A, Pastore G, Selloni A and van der Lugt W 1995 J. Chem. Phys. 103 5031
23. de Wijs G A, Pastore G, Selloni A and van der Lugt W 1994 Europhys. Lett. 27 667 de Wijs G A, Pastore G, Selloni A and van der Lugt W 1995 J. Chem. Phys. 103 5031
24. Schöne M, Kaschner R and Seifert G 1995 J. Phys.: Condens. Matter 7 L19
25. Kaschner R, Schöne M, Seifert G and Pastore G 1996 J. Phys.: Condens. Matter 8 L653
26. Seifert G, Kaschner R, Schöne M and Pastore G 1998 J. Phys.: Condens. Matter 10 1175
27. Villars P and Calvert N D 1985 Pearson's Handbook of Crystallographic Data for Intermetallic Phases vols 1-3 (Metals Park, OH: American Society for Metals)
28. Kresse G and Hafner J 1993 Phys. Rev. B 48 13 115 Kresse G and Hafner J 1994 Phys. Rev. B 49 14 251
29. Kresse G and Hafner J 1993 Phys. Rev. B 48 13 115 Kresse G and Hafner J 1994 Phys. Rev. B 49 14 251
30. Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11 196
31. Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11 196
32. Nosé S 1984 J. Chem. Phys. 81 511
33. Allen M P and Tildesley D J 1990 Computer Simulation of Liquids (Oxford: Oxford University Press)
34. Andersen H C 1980 J. Chem. Phys. 72 2884
35. Parrinello M and Rahman A 1980 Phys. Rev. Lett. 45 1196 Parrinello M and Rahman A 1981 J. Chem. Phys. 52 7182
36. Parrinello M and Rahman A 1980 Phys. Rev. Lett. 45 1196 Parrinello M and Rahman A 1981 J. Chem. Phys. 52 7182
37. Ray J R and Rahman A 1984 J. Chem. Phys. 80 4423
38. Teçza G W and Hafner J 1996 J. Non-Cryst. Solids 202 1
39. Price D L, Saboungi M L, Reijers H T J, Kearley G and White R 1991 Phys. Rev. Lett. 66 1894
40. Price D L and Saboungi M L 1991 Phys. Rev. B 44 7289
41. Saboungi M L, Fortner J, Howells W S and Price D L 1993 Nature 365 237
42. Reijers H T J, Saboungi M L, Price D L and van der Lugt W 1990 Phys. Rev. B 41 5661
43. Müller W and Stöhr J 1977 Z. Naturf. b 32 631
44. Bhatia A B and Thornton D E 1975 Phys. Rev. B 2 3004
45. Pearson W B 1972 The Crystal Physics and Chemistry of Metals and Alloys (New York: Wiley)
46. Bacon G E 1972 Acta Crystallogr. A 28 357
47. Moss S C and Price D L 1985 Physics of Disordered Materials ed D Adler, H Fritzsche and S R Ovshinsky (New York: Plenum) p 77
48. Chandler D and Andersen H C 1972 J. Chem. Phys. 57 1930
49. Hansen J-P and McDonald I R 1986 Theory of Simple Liquids (London: Academic)
50. Ruppersberg H and Egger H 1975 J. Chem. Phys. 63 4095
51. Price D L 1990 J. Non-Cryst. Solids 117/118 10
52. Seifert-Lorenz K and Hafner J 2000 unpublished
53. Iida T and Guthrie R I L 1988 The Physical Properties of Liquid Metals (Oxford: Oxford Science)
54. Tegze M and Hafner J 1989 Phys. Rev. B 39 8263 Tegze M and Hafner J 1989 Phys. Rev. B 40 9841
55. Tegze M and Hafner J 1989 Phys. Rev. B 39 8263 Tegze M and Hafner J 1989 Phys. Rev. B 40 9841
56. Genser O and Hafner J 2001 to be published
57. Jank W and Hafner J 1990 Phys. Rev. B 41 1497
58. Indlekofer G, Oelhafen P, Lapka R and Güntherodt H J 1988 Z. Phys. Chem., NF 157 465
59. Seifert K, Hafner J, Furthmüller J and Kresse G 1995 J. Phys.: Condens. Matter 7 3883
60. Kresse G, Furthmüller J and Hafner J 1994 Phys. Rev. B 50 13 181