Tight-binding models for compounds: Application to SiC

Physical Review B - Condensed Matter and Materials Physics

Volumn 54, Issue 7, 1996, Pages 4650-4659

  Mercer, James L ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001360457     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.54.4650     Document Type: Article

References (80)

1. G.X. Qian and D.J. Chadi, Phys. Rev. B 35, 1288 (1987).
2. J.L. Mercer and M.Y. Chou, Phys. Rev. B 48, 5374 (1993), and many of the references listed there.
3. M. Menon and K.R. Subbaswamy, Phys. Rev. B 50, 11t577 (1994).
4. L. Goodwin, A.J. Skinner, and D.G. Pettifor, Europhys. Lett. 9, 701 (1989).
5. C.H. Xu, C.Z. Wang, C.T. Chan and K.M. Ho, J. Phys. Condens. Matter 4, 6047 (1992).
6. R.E. Cohen, M.J. Mehl and D.A. Papaconstantopoulos, Phys. Rev. B 50, 14t694 (1994).
7. D.W. Bullet, J. Phys. C 8, 2695 (1975); Solid State Physics: Advances in Research and Applications, edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic Press, New York, 1980), Vol. 35.
8. P.W. Anderson, Phys. Rev. 181, 25 (1969).
9. J.K. Rudra and W. Beall Fowler, Phys. Rev. B 28, 1056 (1983).
10. W.M.C. Foulkes, Phys. Rev. B 48, 14t216 (1993).
11. D.J. Chadi, in Atomistic Simulation of Materials Beyond Pair Potentials, edited by V. Vitek and D. Srolovitz (Plenum Press, New York, 1989).
12. J.K. Rudra and W. Beall Fowler, Phys. Rev. B 28, 1061 (1983).
13. A.P. Sutton, M.W. Finnis, D.G. Pettifor and Y. Ohta, J. Phys. C 21, 35 (1988).
14. J.L. Mercer and M.Y. Chou, Phys. Rev. B 49, 8506 (1994).
15. A. Kobayashi, O.F. Sankey and J.D. Dow, Phys. Rev. B 25, 6367 (1982).
16. E.P. O'Reilly and J. Robertson, Phys. Rev. B 34, 8684 (1986).
17. M. Menon and R.E. Allan, Phys. Rev. B 38, 6196 (1988).
18. K. Nath and A.B. Anderson, Phys. Rev. B 41, 5652 (1990).
19. D.W. Jenkins, J.D. Dow and M-H. Tsai, J. Appl. Phys. 72, 4130 (1992).
20. D.A. Contreras-Solorio, V.R. Velasco and F. Garcia-Moliner, Phys. Rev. B 47, 4651 (1993).
21. M. Sugawara, Phys. Rev. B 47, 7588 (1993).
22. G. Lengel, R. Wilkins, G. Brown, M. Weimer, J. Gryko and R.E. Allan, Phys. Rev. Lett. 72, 836 (1994).
23. C. Molteni, L. Colombo and L. Miglio, Phys. Rev. B 50, 4371 (1994).
24. J. Phys. Condens. Matter 6, 5243 (1994)
25. K. Sieranski, J. Szatkowski and K. Misiewicz, Phys. Rev. B 50, 7331 (1994).
26. H. Seong and L.J. Lewis, Phys. Rev. B 52, 5675 (1995).
27. L. Brey, C. Tejedor and J.A. Verges, Phys. Rev. B 29, 6840 (1984).
28. M. Rosenbauer and H.J.F. Jansen, Phys. Rev. B 47, 16t148 (1993).
29. M.H.F. Sluiter and P.P. Singh, Phys. Rev. B 49, 10t918 (1994).
30. F. Guinea, J. Sanchez-Dehesa and F. Flores, J. Phys. C 16, 6499 (1983).
31. J. Sanchez-Dehesa, F. Flores and F. Guinea, J. Phys. C 17, 2039 (1984).
32. R. Strehlow, M. Hanke and W. Kuhn, Phys. Status Solidi B 131, 631 (1985).
33. J.P. Bourdin, M.C. Desjonqueres, D. Spanjaard and J. Friedel, Surf. Sci. 157, L345 (1985), and references therein;
34. J. Tersoff and W.A. Harrison, Phys. Rev. Lett. 58, 2367 (1987).
35. L. Brey and C. Tejedor, Phys. Rev. Lett. 59, 1022 (1987).
36. J.A. Majewski and P. Vogl, Phys. Rev. B 35, 9666 (1987).
37. C. Priester, G. Allan and M. Lannoo, Phys. Rev. B 38, 9870 (1988).
38. J. Ortega, J. Sanchez-Dehesa and F. Flores, Phys. Rev. B 37, 8516 (1988).
39. C. Priester, G. Allan and M. Lannoo, Phys. Rev. B 37, 8519 (1988).
40. C. Priester, G. Allan and M. Lannoo, J. Vac. Sci. Technol. B 6, 1290 (1988).
41. H. Xu and U. Lindefelt, Phys. Rev. B 41, 5979 (1990).
42. Ch. Huasleitner and J. Hafner, J. Phys. Condens. Matter 2, 6651 (1990).
43. D. Bertho, D. Boiron, A. Simon, C. Jouanin and C. Priester, Phys. Rev. B 44, 6118 (1991).
44. C. Tserbak, H.M. Polatoglou and G. Theodorou, Phys. Rev. B 47, 7104 (1993).
45. F. Liu, Phys. Rev. B 52, 10t677 (1995).
46. M. Kohyama, S. Kose, M. Kinoshita and R. Yamamoto, J. Phys. Condens. Matter 2, 7791 (1990).
47. J.C. Slater and G.F. Koster, Phys. Rev. 94, 1498 (1954).
48. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
49. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
50. D.R. Hamann, M. Schlüter and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
51. N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991).
52. W.A. Harrison, Phys. Rev. B 27, 3592 (1983).
53. J. Dorantes-Davila, A. Vega and G.M. Pastor, Phys. Rev. B 47, 12t995 (1993).
54. O.K. Anderson (private communication).
55. J.L. Mercer and M.Y. Chou, Phys. Rev. B 47, 9366 (1993).
56. M.T. Yin and M.L. Cohen, Phys. Rev. B 26, 5668 (1982).
57. M.T. Yin, Phys. Rev. B 30, 1773 (1984).
58. L.L. Boyer, E. Kaxiras, J.L. Feldman, J.Q. Broughton and M.J. Mehl, Phys. Rev. Lett. 67, 715 (1991).
59. See R.P. Feynman, Phys. Rev. 56, 340 (1939).
60. G.B. Adams, M. O'Keefe, A.A. Demkov, O.F. Sankey and Y.-M. Huang, Phys. Rev. B 49, 8048 (1994).
61. A.A. Demkov, O.F. Sankey, K.E. Schmidt, G.B. Adams and M. O'Keeffe, Phys. Rev. B 50, 17t001 (1994); the orthogonal models tested by this group were for silicon Goodwin, et. al (Ref. 4) and for carbon Xu, et. al (Ref. 5).
62. O.F. Sankey and D.J. Niklewski, Phys. Rev. B 40, 3979 (1989).
63. K. Raghavachari, J. Chem. Phys. 35, 3520 (1985).
64. K. Raghavachari and V. Logovinsky, Phys. Rev. Lett. 55, 2853 (1985).
65. M.T. Yin and M.L. Cohen, Phys. Rev. B 26, 3259 (1982).
66. O.H. Nielsen and R.M. Martin, Phys. Rev. B 32, 3792 (1985).
67. R. Biswas (private communications).
68. S. Fahy and S.G. Louie, Phys. Rev. B 36, 3373 (1987).
69. K. Raghavachari and J.S. Binkley, J. Chem. Phys. 87, 2191 (1987).
70. M.R. Pederson and A.A. Quong, Phys. Rev. Lett. 74, 2319 (1995). The coordinates to make (Formula presented) and (Formula presented)-(Formula presented) were provided by A.A. Quong.
71. P. Pavone, K. Karch, O. Schütt, W. Windl, D. Strauch, P. Giannozzi and S. Baroni, Phys. Rev. B 48, 3156 (1993).
72. K.J. Chang and M.L. Cohen, Phys. Rev. B 35, 8196 (1987).
73. N. Churcher, K. Kunc and V. Heine, J. Phys. C 19, 4413 (1986).
74. K. Karch, P. Pavone, W. Windl, O. Schütt and D. Strauch, Phys. Rev. B 50, 17t054 (1994).
75. J.C. Phillips, Bonds and Bands in Semiconductors (Academic Press, New York, 1973).
76. J.C. Phillips and J.A. Van Vechten, Phys. Rev. Lett. 23, 1115 (1969).
77. R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955).
78. D. Sanchez-Portal, E. Artacho and J.M. Soler, Solid State Commun. 95, 685 (1995).
79. R. Orlando, R. Dovesi, C. Roetti and V.R. Saunders, J. Phys. Condens. Matter 2, 7769 (1990).
80. P. Käckell, B. Wenzien and F. Bechstedt, Phys. Rev. B 50, 17t037 (1994).