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Defect Theory: An Armchair History

  • David A. Drabold
  • Stefan K. Estreicher
Chapter
  • 845 Downloads
Part of the Topics in Applied Physics book series (TAP, volume 104)

Abstract

This introductory chapter begins with a summary of the developments of the theory of defects in semiconductors in the past 50 years. This is followed by an overview of single-particle methods and today’s first-principles approach, rooted in density-functional theory. Much more detail about this theory and the approximations it involves is found in subsequent chapters. The last section discusses the various contributions to this book.

Keywords

71.10.-w 71.17.-m 71.23.-k 71.55.-i 63.20Mt 

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References

  1. J. L. Mass, M. T. Wypyski, R. E. Stone: Mater. Res. Soc. Bull. 26, 38 (2001) Google Scholar
  2. A. M. Stoneham: Theory of Defects in Solids (Clarendon, Oxford 1985) Google Scholar
  3. H. J. Queisser, E. E. Haller: Science 281, 945 (1998) Google Scholar
  4. F. Braun: Ann. Phys. Chem. (Leipzig) 153, 556 (1874) Google Scholar
  5. A. B. Fowler: Phys. Today 46, 59 (1993) Google Scholar
  6. F. Seitz: Phys. Today 48, 22 (1995) Google Scholar
  7. M. Riordan, I. Hoddeson: Phys. Today 50, 42 (1997) Google Scholar
  8. I. M. Ross: Phys. Today 50, 34 (1997) Google Scholar
  9. F. Shimura (Ed.): Oxygen in Silicon, Semicond. Semimet. 42 (Academic, Boston 1994) Google Scholar
  10. R. Jones (Ed.): Early Stages of Oxygen Precipitation in Silicon (Kluwer, Dordrecht 1996) Google Scholar
  11. R. Scholtz, U. Gösele, J. Y. Y. Huh, T. Y. Tan: Appl. Phys. Lett. 72, 200 (1998) Google Scholar
  12. S. K. Estreicher: Mater. Sci. Eng. R 14, 319 (1995) Google Scholar
  13. S. J. Pearton: GaN and Related Materials (Gordon and Breach, Amsterdam 1997) p. 333 Google Scholar
  14. F. Jiang, M. Stavola, A. Rohatgi, D. Kim, J. Holt, H. Atwater, J. Kalejs: Appl. Phys. Lett. 83, 931 (2003) Google Scholar
  15. G. Davies: Phys. Rep. 176, 83 (1989) Google Scholar
  16. G. D. Watkins: Deep Centers in Semiconductors (Gordon and Breach, New York 1986) p. 147 Google Scholar
  17. Y. V. Gorelkinskii, N. N. Nevinnyi: Physica B 170, 155 (1991) Google Scholar
  18. Y. V. Gorelkinskii, N. N. Nevinnyi: Mater. Sci. Eng. B. 36, 133 (1996) Google Scholar
  19. S. T. Pantelides (Ed.): Deep Centers in Semiconductors (Gordon and Breach, New York 1986) Google Scholar
  20. S. K. Estreicher: Mater. Today 6, 26 (2003) Google Scholar
  21. W. Kohn: Solid State Phys. 5, 257 (1957) Google Scholar
  22. S. T. Pantelides: Rev. Mod. Phys. 50, 797 (1978) Google Scholar
  23. G. D. Watkins: Radiation Damage in Semiconductors (Dunod, Paris 1964) p. 97 Google Scholar
  24. G. D. Watkins, J. W. Corbett: Phys. Rev. 138, A543 (1965) Google Scholar
  25. G. W. Ludwig, H. H. Woodbury: Solid State Phys. 13, 223 (1962) Google Scholar
  26. W. Kaiser, P. H. Keck, C. F. Lange: Phys. Rev. 101, 1264 (1956) Google Scholar
  27. J. W. Corbett, R. S. McDonald, G. D. Watkins: J. Phys. Chem. Solids 25, 873 (1964) Google Scholar
  28. G. G. DeLeo, G. D. Watkins, W. Beal Fowler: Phys. Rev. B 25, 4972 (1982) Google Scholar
  29. A. Zunger, U. Lindefelt: Phys. Rev. B 26, 5989 (1982) Google Scholar
  30. T. L. Estle, S. K. Estreicher, D. S. Marynick: Hyp. Inter. 32, 637 (1986) Google Scholar
  31. T. L. Estle, S. K. Estreicher, D. S. Marynick: Phys. Rev. Lett. 58, 1547 (1987) Google Scholar
  32. G. F. Koster, J. C. Slater: Phys. Rev. 95, 1167 (1954) Google Scholar
  33. J. Callaway: J. Math. Phys. 5, 783 (1964) Google Scholar
  34. J. Callaway, A. J. Hughes: Phys. Rev. 156, 860 (1967) Google Scholar
  35. J. Callaway, A. J. Hughes: Phys. Rev. 164, 1043 (1967) Google Scholar
  36. J. Bernholc, S. T. Pantelides: Phys. Rev. B 18, 1780 (1978) Google Scholar
  37. J. Bernholc, N. O. Lipari, S. T. Pantelides: Phys. Rev. Lett. 41, 895 (1978) Google Scholar
  38. G. A. Baraff, M. Schlüter: Phys. Rev. Lett. 41, 892 (1978) Google Scholar
  39. G. A. Baraff, E. O. Kane, M. Schlüter: Phys. Rev. Lett. 43, 956 (1979) Google Scholar
  40. M. Scheffler, J. P. Vigneron, G. B. Bachelet: Phys. Rev. Lett. 49, 1756 (1982) Google Scholar
  41. U. Lindefelt: Phys. Rev. B 28, 4510 (1983) Google Scholar
  42. U. Lindefelt, A. Zunger: Phys. Rev. B 30, 1102 (1984) Google Scholar
  43. G. A. Baraff, M. Schlüter: Phys. Rev. B 28, 2296 (1983) Google Scholar
  44. R. Car, P. J. Kelly, A. Oshiyama, S. T. Pantelides: Phys. Rev. Lett. 52, 1814 (1984) Google Scholar
  45. D. N. Talwar, M. Vandevyver, M. Zigone: J. Phys. C 13, 3775 (1980) Google Scholar
  46. R. M. Feenstra, R. J. Hauenstein, T. C. McGill: Phys. Rev. B 28, 5793 (1983) Google Scholar
  47. R. Car, P. J. Kelly, A. Oshiyama, S. T. Pantelides: Phys. Rev. Lett. 54, 360 (1985) Google Scholar
  48. F. Aryasetiawan, O. Gunnarsson: Rep. Prog. Phys. 61, 237 (1998) Google Scholar
  49. J. Friedel, M. Lannoo, G. Leman: Phys. Rev. 164, 1056 (1967) Google Scholar
  50. R. P. Messmer, G. D. Watkins: Phys. Rev. Lett. 25, 656 (1970) Google Scholar
  51. R. P. Messmer, G. D. Watkins: Phys. Rev. B 7, 2568 (1973) Google Scholar
  52. F. P. Larkins: J. Phys. C: Solid State Phys. 4, 3065 (1971) Google Scholar
  53. R. P. Messmer, G. D. Watkins: Proc. Reading Conf. on Radiation Damage and Defects in Semiconductors (Insitute of Physics, Bristol 1973) p. 255 Google Scholar
  54. A. Mainwood: J. Phys. C: Solid State Phys. 11, 2703 (1978) Google Scholar
  55. J. W. Corbett, S. N. Sahu, T. S. Shi, L. C. Snyder: Phys. Lett. 93A, 303 (1983) Google Scholar
  56. P. De'ak, L. C. Snyder: Radiat. Eff. Def. Solids 111–112, 77 (1989) Google Scholar
  57. P. De'ak, L. C. Snyder: Phys. Rev. B 36, 9619 (1987) Google Scholar
  58. P. De'ak, L. C. Snyder, J. W. Corbett: Phys. Rev. B 45, 11612 (1992) Google Scholar
  59. J. Mir'o, P. De'ak, C. P. Ewels, R. Jones: J. Phys.: Condens. Matter 9, 9555 (1997) Google Scholar
  60. G. G. DeLeo, G. D. Watkins, W. B. Fowler: Phys. Rev. B 23, 1819 (1981) Google Scholar
  61. G. G. DeLeo, W. B. Fowler, G. D. Watkins: Phys. Rev. B 29, 1851 (1984) Google Scholar
  62. T. A. Halgren, W. N. Lipscomb: J. Chem. Phys. 58, 1569 (1973) Google Scholar
  63. D. S. Marynick, W. N. Lipscomb: Proc. Nat. Acad. Sci. (USA) 79, 1341 (1982) Google Scholar
  64. D. R. Hamann, M. Schlüter, C. Chiang: Phys. Rev. Lett. 43, 1494 (1979) Google Scholar
  65. G. B. Bachelet, D. R. Hamann, M. Schlüter: Phys. Rev. B 26, 4199 (1982) Google Scholar
  66. L. Kleinman, D. M. Bylander: Phys. Rev. Lett. 48, 1425 (1982) Google Scholar
  67. R. Car, M. Parrinello: Phys. Rev. Lett. 55, 2471 (1985) Google Scholar
  68. O. Sankey, D. J. Niklewski: Phys. Rev. B 40, 3979 (1989) Google Scholar
  69. A. Zunger, A. Katzir: Phys. Rev. B 11, 2378 (1975) Google Scholar
  70. S. G. Louie, M. Schlüter, J. R. Chelikowsky, M. L. Cohen: Phys. Rev. B 13, 1654 (1976) Google Scholar
  71. W. Pickett, M. L. Cohen, C. Kittel: Phys. Rev. B 20, 5050 (1979) Google Scholar
  72. S. K. Estreicher, A. K. Ray, J. L. Fry, D. S. Marynick: Phys. Rev. Lett. 55, 1976 (1985) Google Scholar
  73. S. K. Estreicher: Phys. Rev. B 41, 9886 (1990) Google Scholar
  74. S. K. Estreicher: Phys. Rev. B 41, 5447 (1990) Google Scholar
  75. S. K. Estreicher: Phys. Rev. B 60, 5375 (1999) Google Scholar
  76. A. A. Bonapasta, A. Lapiccirella, N. Tomassini, M. Capizzi: Phys. Rev. B 36, 6228 (1987) Google Scholar
  77. E. Artacho, F. Yndur'ain: Solid State Commun. 72, 393 (1989) Google Scholar
  78. R. Luchsinger, P. F. Meier, N. Paschedag, H. U. Suter, Y. Zhou: Philos. Trans. Roy. Soc. Lond. A 350, 203 (1995) Google Scholar
  79. P. Hohenberg, W. Kohn: Phys. Rev. 136B, 468 (1964) Google Scholar
  80. W. Kohn, L. J. Sham: Phys. Rev. 140A, 1133 (1965) Google Scholar
  81. L. J. Sham, W. Kohn: Phys. Rev. 145, 561 (1966) Google Scholar
  82. W. Kohn: Rev. Mod. Phys. 71, 1253 (1999) Google Scholar
  83. M. Saito, A. Oshiyama: Phys. Rev. B 38, 10711 (1988) Google Scholar
  84. R. Jones, A. Sayyash: J. Phys. C 19, L653 (1986) Google Scholar
  85. R. Jones, P. R. Briddon: The ab-initio cluster method and the dynamics of defects in semiconductors, in M. Stavola (Ed.): Identification of Defects in Semiconductors, vol. 51A, Semicond. Semimet. (Academic, Boston 1998) Chap. 6, p. 287 Google Scholar
  86. J. D. Holbech, B. Bech Nielsen, R. Jones, P. Sitch, S. "Oberg: Phys. Rev. Lett. 71, 875 (1993) Google Scholar
  87. R. Jones, B. J. Coomer, P. R. Briddon: J. Phys.: Condens. Matter 16, S2643 (2004) Google Scholar
  88. S. Ogüt, J. R. Chelikowsky: Phys. Rev. Lett. 83, 3852 (1999) Google Scholar
  89. S. Ogüt, J. R. Chelikowsky: Phys. Rev. B 64, 245206 (2001) Google Scholar
  90. J. H. Van Vleck: Phys. Rev. 49, 232 (1936) Google Scholar
  91. W. Kohn: Phys. Rev. Lett. 76, 3168 (1996) Google Scholar
  92. X. P. Li, R. W. Nunes, D. Vanderbilt: Phys. Rev. B 47, 10891 (1993) Google Scholar
  93. S. N. Taraskin, D. A. Drabold, S. R. Elliott: Phys. Rev. Lett. 88, 196405 (2002) Google Scholar
  94. R. M. Martin: Electronic Structure, Basic Theory and Practical Applications (Cambridge University Press, Cambridge 2004) Google Scholar
  95. D. R. Hartree: Proc. Cambridge Philos. Soc. 24, 89 (1928) Google Scholar
  96. F. Fock: Z. Phys. 61, 126 (1930) Google Scholar
  97. P. Fulde: Electron Correlations in Molecules and Solids (Springer, Berlin, Heidelberg 1993) Google Scholar
  98. E. Fermi: Z. Phys. 48, 73 (1928) Google Scholar
  99. L. H. Thomas: Proc. Cambridge Philos. Soc. 23, 542 (1927) Google Scholar
  100. R. G. Parr, W. Yang: Density-Functional Theory of Atoms and Molecules (Clarendon, Oxford 1989) Google Scholar
  101. P. Hohenberg, W. Kohn: Phys. Rev. 136, B864 (1964) Google Scholar
  102. W. Kohn, L. J. Sham: Phys. Rev. 140, A1133 (1965) Google Scholar
  103. D. M. Ceperley, G. J. Alder: Phys. Rev. Lett. 45, 566 (1980) Google Scholar
  104. F. Buda, G. L. Chiarotti, R. Car, M. Parrinello: Phys. Rev. Lett. 63, 4294 (1989) Google Scholar
  105. A. A. Demkov, J. Ortega, O. F. Sankey, M. P. Grumbach: Phys. Rev. B 53, 10441 (1995) Google Scholar
  106. D. S'anchez-Portal, P. Ordej'on, E. Artacho, J. M. Soler: Int. J. Quant. Chem. 65, 453 (1997) Google Scholar
  107. E. Artacho, D. S'anchez-Portal, P. Ordej'on, A. García, J. M. Soler: Phys. Stat. Sol. (b) 215, 809 (1999) Google Scholar

Authors and Affiliations

  • David A. Drabold
    • 1
  • Stefan K. Estreicher
    • 2
  1. 1.Ohio UniversityDept. of Physics and AstronomyAthens
  2. 2.Texas Tech UniversityPhysics DepartmentLubbockUSA

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