Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

Physical Review B - Condensed Matter and Materials Physics

Volumn 53, Issue 24, 1996, Pages 16201-16213

  Barbiellini, B ^a   Puska, M ^a   Korhonen, T ^a   Harju, A ^a   Torsti, T ^a   Nieminen, R ^a  

^a AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 2842614978     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.53.16201     Document Type: Article

References (83)

1. Positron Solid State Physics, edited by W. Brandt and A. Dupasquier (North-Holland, Amsterdam, 1983).
2. P. J. Schultz and K. G. Lynn, Rev. Mod. Phys. 60, 701 (1988).
3. S. Berko, in Momentum Distributions, edited by R. N. Silver and P. E. Sokol (Plenum, New York, 1989), p. 273.
4. M. J. Puska and R. M. Nieminen, Rev. Mod. Phys. 66, 841 (1994).
5. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
6. E. Boroński and R. M. Nieminen, Phys. Rev. B 34, 3820 (1986).
7. M. J. Puska, A. P. Seitsonen and R. M. Nieminen, Phys. Rev. B 52, 10t947 (1995).
8. K. O. Jensen and A. B. Walker, J. Phys. F 18, L277 (1988).
9. M. J. Puska and R. M. Nieminen, Phys. Rev. B 46, 1278 (1992).
10. K. O. Jensen, J. Phys. Condens. Matter 1, 10t595 (1989).
11. P. A. Sterne and J. H. Kaiser, Phys. Rev. B 43, 13t892 (1991).
12. H. Stachowiak and J. Lach, Phys. Rev. B 48, 9828 (1993).
13. W. E. Pickett, Comments Solid State Phys. 12, 1 (1985).
14. J. P. Perdew, Physica B 172, 1 (1991).
15. P. Bagno, O. Jepsen and O. Gunnarsson, Phys. Rev. B 40, 1997 (1989).
16. B. Barbiellini, E. G. Moroni and T. Jarlborg, J. Phys. Condens. Matter 2, 7597 (1990).
17. B. Barbiellini, E. G. Moroni and T. Jarlborg, Helv. Phys. Acta 64, 164 (1991).
18. B. Hammer, M. Scheffler, K. W. Jacobsen and J. K. Nørskov, Phys. Rev. Lett. 73, 1400 (1994).
19. J. A. White, D. M. Bird, M. C. Payne and I. Stich, Phys. Rev. Lett. 73, 1404 (1994).
20. G. Ortiz and P. Ballone, Phys. Rev. B 43, 6376 (1991).
21. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
22. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais, Phys. Rev. B 48, 4978(E) (1993).
23. B. Barbiellini, M. J. Puska, T. Torsti and R. M. Nieminen, Phys. Rev. B 51, 7341 (1995).
24. J. Arponen and E. Pajanne, Ann. Phys. (N.Y.) 121, 343 (1979); in Positron Annihilation, edited by P. C. Jain, R. M. Singru, and K. P. Gopinathan (World Scientific, Singapore, 1985), p. 21.
25. A. Kheim, D. J. Singh and C. J. Umrigar, Phys. Rev. B 51, 4105 (1995).
26. Y. M. Juan, E. Kaxiras and R. G. Gordon, Phys. Rev. B 51, 9521 (1995).
27. O. K. Andersen, O. Jepsen, and M. Sob, in Electronic Band Structure and Its Applications, edited by M. Yussouff (Springer-Verlag, Heidelberg, 1987), p. 1.
28. M. J. Puska and R. M. Nieminen, J. Phys. F 13, 333 (1983).
29. S. Daniuk, G. Kontrym-Sznajd, J. Majers, A. Rubaszek, H. Stachowiak, P. A. Walters, and R. N. West, in Positron Annihilation (Ref. 23), pp. 43 and 279;
30. J. Phys. F 17, 1365 (1987)
31. S. Daniuk, J. Phys. Condens. Matter 1, 5561 (1989).
32. S. Kahana, Phys. Rev. 129, 1622 (1963).
33. A. P. Seitsonen, M. J. Puska and R. M. Nieminen, Phys. Rev. B 51, 14t057 (1995).
34. L. Oberli, A. A. Manuel, R. Sachot, P. Descout, M. Peter, L. P. L. Rabou, P. E. Mijnarends, T. Hyodo and A. T. Stewart, Phys. Rev. B 31, 1147 (1985).
35. A. Rubaszek, Phys. Rev. B 44, 10857 (1991).
36. J. Phys. Condens. Matter 1, 2141 (1989).
37. D. G. Lock, V. H. C. Crisp and R. N. West, J. Phys. F 3, 561 (1973).
38. L. Lantto, Phys. Rev. B 36, 5160 (1987).
39. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
40. C. H. Leung, M. J. Stott and C. O. Almbladh, Phys. Lett. 57A, 26 (1976).
41. J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie-Verlag, Berlin, 1991).
42. B. Barbiellini, Phys. Lett. A 134, 328 (1989).
43. T. Chiba, G. B. Dürr and W. Brandt, Phys. Status Solidi B 81, 609 (1977).
44. M. J. Puska, M. Mäkinen, M. Manninen, and R. M. Nieminen, Phys. Rev. B 39, 7666 (1989).
45. R. M. Nieminen and C. H. Hodges, Solid State Commun. 18, 1115 (1976).
46. M. J. Puska, P. Lanki and R. M. Nieminen, J. Phys. Condens. Matter 1, 6081 (1989).
47. M. Jibaly, A. Weiss, A. R. Koymen, D. Mehl, L. Stiborek and C. Lei, Phys. Rev. B 44, 12t166 (1991).
48. D. W. Gidley and W. E. Frieze, Phys. Rev. Lett. 60, 1193 (1988).
49. A. K. Singh and T. Jarlborg, J. Phys. F 15, 727 (1985).
50. S. Daniuk, M. Sob and A. Rubaszek, Phys. Rev. B 43, 2580 (1991).
51. The experimental positron bulk lifetimes used are from the following sources: Na (338 ps) and K (397 ps) by H. Weisberg and S. Berko, Phys. Rev. 154, 249 (1967); Al (170 ps), Fe (112 ps), Ni (107 ps), Cu (120 ps), Si (216 ps), Ge (228 ps), GaAs (231 ps), and InP (244 ps) by K. Saarinen (unpublished).
52. CdTe (285 ps) by C. Gély-Sykes, C. Corbel and R. Triboulet, Solid State Commun. 80, 79 (1993).
53. M. J. Mehl and B. M. Klein, Physica B 172, 211 (1992).
54. R. Benedek, L.H. Yang, C. Woodward and B. I. Min, Phys. Rev. B 45, 2607 (1992).
55. O. Sugino and A. Oshiyama, Phys. Rev. Lett. 68, 1858 (1992).
56. K. Laasonen, M. J. Puska and R. M. Nieminen, Phys. Rev. B 45, 4122 (1992).
57. L. Gilgien, G. Galli, F. Gygi and R. Car, Phys. Rev. Lett. 72, 3214 (1994).
58. K. Laasonen, M. Alatalo, M. J. Puska and R. M. Nieminen, J. Phys. Condens. Matter 3, 7217 (1991).
59. M. J. Puska, O. Jepsen, O. Gunnarson and R. M. Nieminen, Phys. Rev. B 34, 2695 (1986).
60. M. Alatalo, M. J. Puska and R. M. Nieminen, J. Phys. Condens. Matter 5, L307 (1993).
61. H. E. Schaefer, R. Gugelmeier, M. Schmolz, and A. Seeger, in Proceedings of the Vth Risø International Symposium of Metallurgy and Materials Science, edited by N. H. Andersen, M. Eldrup, N. Hansen, D. J. Jensen, T. Leffers, H. Lillholt, O. B. Pedersen, and B. N. Singh (Risø National Laboratory, Risø, 1984).
62. H. E. Schaefer, W. Stuck, F. Banhart, and W. Bauer, in Proceedings of the 8th International Conference on Vacancies and Interstitials in Metals and Alloys, edited by C. Ambromeit and H. Wollenberger (Trans Tech, Aedermannsdorf, 1986).
63. A. Vehanen, P. Hautojärvi, J. Johansson and J. Yli-Kauppila, Phys. Rev. B 25, 762 (1982).
64. P. Hautojärvi, H. Huomo, M. Puska and A. Vehanen, Phys. Rev. B 32, 4326 (1985).
65. C. Corbel, F. Pierre, K. Saarinen, P. Hautojärvi and P. Moser, Phys. Rev. B 41, 10t632 (1990).
66. C. Corbel, F. Pierre, K. Saarinen, P. Hautojärvi and P. Moser, Phys. Rev. B 45, 3386 (1992).
67. K. Saarinen, P. Hautojärvi, P. Lanki and C. Corbel, Phys. Rev. B 44, 10t585 (1991).
68. T. Jarlborg and A.K. Singh, Phys. Rev. B 36, 4660 (1987).
69. B. Barbiellini, P. Genoud and T. Jarlborg, J. Phys. Condens. Matter 3, 7631 (1991).
70. S. Wakoh, S. Berko, M. Haghgooie and J. J. Mader, J. Phys. F 9, L231 (1979).
71. A. A. Manuel, S. Samoilov, Ø. Fischer and M. Peter, Helv. Phys. Acta 52, 255 (1979).
72. R. Harthoorn and P. E. Mijnarends, J. Phys. F 8, 1147 (1978).
73. C. K. Majumdar, Phys. Rev. 140, A227 (1965).
74. M. Sob, in Proceedings of the 8th Annual International Symposium on Electronic Structure of Metals and Alloys, Gaussig, edited by P. Ziesche (Tech. Universität, Dresden 1978), p. 170;
75. J. Phys. F 12, 571 (1982)
76. P. E. Mijnarends and R. M. Singru, Phys. Rev. B 19, 6038 (1979).
77. A. K. Singh, A. A. Manuel, T. Jarlborg, Y. Mathys, E. Walker and M. Peter, Helv. Phys. Acta 59, 410 (1986).
78. M. Weger, B. Barbiellini and M. Peter, Z. Phys. B 94, 387 (1994).
79. P. A. Sterne, R. H. Howell, M. J. Fluss, J. H. Kaiser, K. Ki- tazawa and H. Kojima, J. Phys. Chem. Solids 54, 1231 (1993).
80. R. H. Howell, P. A. Sterne, M. J. Fluss, J. H. Kaiser, K. Kitazawa and H. Kojima, Phys. Rev. B 49, 13t127 (1994).
81. A. A. Manuel, A. Shukla, L. Hoffmann, T. Jarlborg, B. Barbiellini, S. Massidda, W. Sadowski, E. Walker, A. Erb and M. Peter, J. Phys. Chem. Solids 56, 1951 (1995).
82. A. Shukla, B. Barbiellini, L. Hoffmann, A. A. Manuel, W. Sadowski, E. Walker and M. Peter, Phys. Rev. B 53, 3613 (1996).
83. B. Barbiellini, M. J. Puska, A. Harju and R. M. Nieminen, J. Phys. Chem. Solids 56, 1693 (1995).