Theory of defects in Si and Ge: Past, present and recent developments

Thin Solid Films

Volumn 518, Issue 9, 2010, Pages 2413-2417

  Estreicher, S K ^a   Backlund, D ^a   Gibbons, T M ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

Germanium; Molecular dynamics; Silicon; Theory

Indexed keywords

DEFECT CENTERS; DEFECTS IN SEMICONDUCTORS; EXTENDED DEFECT; FIRST-PRINCIPLES; LIGHT IMPURITIES; OPTICAL CHARACTERIZATION; SUPER CELL; THEORETICAL PREDICTION; THEORY OF DEFECTS; VIBRATIONAL PROPERTIES;

GERMANIUM; OPTICAL PROPERTIES;

DEFECTS;

EID: 76049128978     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tsf.2009.09.131     Document Type: Article

References (78)

1. Reiss H., Fuller C.S., and Morin F.J. Bell Syst. Tech. J. 35 (1956) 535
2. Haller E.E. Mater. Sci. Semicond. Process. 9 (2006) 408
3. Huff H.R. Encycl. Appl. Phys. 17 (1996) 437
4. Queisser H.J., and Haller E.E. Science 281 (1998) 945
5. Temkin H., and Estreicher S.K. In: Moore J.H., and Spencer N.D. (Eds). chapter C2.16 in Encyclopedia of Chemical Physics and Physics Chemistry (2002), IoP, Bristol 2567
6. In: Drabold D.A., and Estreicher S.K. (Eds). Theory of Defects in Semiconductors. Topics in Applied Physics vol. 104 (2007), Springer, Heidelberg
7. Estreicher S.K., West D., Goss J., Knack S., and Weber J. Phys. Rev. Lett. 90 (2003) 035504
8. Estreicher S.K., West D., and Sanati M. Phys. Rev. B 72 (2005) R121201
9. Steger M., Yang A., Stavrias N., Thewalt M.L.W., Riemann H., Abrosimov N.V., Churbanov M.F., Gusev A.V., Bulanov A.D., Kovalev I.D., Kaliteeskii A.K., Godisov O.N., Becker P., and Pohl H.-J. Phys. Rev. Lett. 100 (2008) 177402
10. Pantelides S.T. In: Pantelides S.T. (Ed). Deep Centers in Semiconductors (1986), Gordon and Breach, New York 1
11. Stoneham A.M. Theory of Defects in Solids (1975), Oxford University Press, Oxford
12. Kittel C., and Mitchell A.H. Phys. Rev. 96 (1954) 1488
13. Kohn W., and Luttinger J.M. Phys. Rev. 97 (1955) 883
14. Ludwig G.W., and Woodbury H.H. Sol. St. Phys. 13 (1962) 223
15. Watkins G.D. In: Baruch P. (Ed). Radiation Damage in Semiconductors (1965), Dunod, Paris 97
16. Watkins G.D., and Corbett J.W. Phys. Rev. 138 (1965) A543
17. Koster G.F., and Slater J.C. Phys. Rev. 95 (1954) 1167;
18. 96 (1954) 1208
19. Callaway J. J. Math. Phys. 5 (1964) 783
20. Callaway J., and Hughes A.J. Phys. Rev. 156 (1967) 860;
21. 164 (1967) 1043
22. Drabold D.A., and Estreicher S.K. In: Drabold D.A., and Estreicher S.K. (Eds). Theory of Defects in Semiconductors. Topics in Applied Physics vol. 104 (2007), Springer, Heidelberg 11
23. Schindlmayr A., and Scheffler M. In: Drabold D.A., and Estreicher S.K. (Eds). Theory of Defects in Semiconductors. Topics in Applied Physics vol. 104 (2007), Springer, Heidelberg 165
24. Shaltaf R., Rignanese G.-M., Gonze X., Giustino F., and Pasquarello A. Phys. Rev. Lett. 100 (2008) 186401
25. Coulson C.A., and Kearsley M.J. Proc. Roy. Soc. A241 (1957) 433
26. Friedel J., Lannoo M., and Leman G. Phys. Rev. 164 (1967) 1056
27. Messmer R.P., and Watkins G.D. Phys. Rev. Lett. 25 (1970) 656
28. Phys. Rev. B 7 (1973) 2568
29. Kaiser W., Keck P.H., and Lange C.F. Phys. Rev. 101 (1956) 1264
30. Corbett J.W., McDonald R.S., and Watkins G.D. J. Phys. Chem. Sol. 25 (1964) 873
31. Estle T.L., Estreicher S.K., and Marynick D.S. Hyp. Inter. 32 (1986) 637
32. Phys. Rev. Lett. 58 (1987) 1547
33. Hamann D.R., Schlüter M., and Chiang C. Phys. Rev. Lett. 43 (1979) 1494
34. Bachelet G.B., Hamann D.R., and Schlüter M. Phys. Rev. B 26 (1982) 4199
35. Kleinman L., and Bylander D.M. Phys. Rev. Lett. 48 (1982) 1425
36. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
37. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
38. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
39. Hohenberg P., and Kohn W. Phys. Rev. 136B (1964) 468
40. Kohn W., and Sham L.J. Phys. Rev. 140A (1965) 1133
41. Sham L.J., and Kohn W. Phys. Rev. 145 (1966) 561
42. Kohn W. Rev. Mod. Phys. 71 (1999) 1253
43. Car R., and Parrinello M. Phys. Rev. Lett. 55 (1985) 2471
44. Sankey O., and Niklewski D.J. Phys. Rev. B 40 (1989) 3979
45. Nieminen R. In: Drabold D.A., and Estreicher S.K. (Eds). Theory of Defects in Semiconductors. Topics in Applied Physics vol. 104 (2007), Springer, Heidelberg 29
46. Izquierdo J., Vega A., Balbás L.C., Sánchez-Portal D., Junquera J., Artacho E., Soler J.M., and Ordejón P. Phys. Rev. B 61 (2000) 13639
47. García-Suárez V.M., Newman C.M., Lambert C.J., Pruneda J.M., and Ferrer J. J. Phys.: Condens. Matter 16 (2004) 5453
48. Sanati M., Gonzalez Szwacki N., and Estreicher S.K. Phys. Rev. B 76 (2007) 125204
49. Widulle F., Ruf T., Konuma M., Silier I., Kriegseis W., Cardona M., and Ozhogin V.I. Sol. St. Commun. 118 (2001) 1
50. Kümmel S., and Kronik L. Rev. Mod. Phys. 80 (2008) 3
51. Freysoldt C., Neugebauer J., and Van de Walle C.G. Phys. Rev. Lett. 102 (2009) 016402
52. Lany S., and Zunger A. Phys. Rev. B 78 (2008) 235104
53. Goss J.P., Shaw M.J., and Briddon P.R. In: Drabold D.A., and Estreicher S.K. (Eds). Theory of Defects in Semiconductors. Topics in Applied Physics vol. 104 (2007), Springer, Heidelberg 69
54. Zhang S.B., and Northrup J.E. Phys. Rev. Lett. 67 (1991) 2339
55. Coutinho J., Jones R., Torres V.J.B., Barroso M., Öberg S., and Briddon P.R. J. Phys.: Condens. Metter 17 (2005) L521
56. Carvalho A., Jones R., Janke C., Goss J.P., Briddon P.R., Coutinho J., and Öberg S. Phys. Rev. Lett. 99 (2007) 175502
57. Perdew J.P., Ernzerhof M., and Burke K. J. Chem. Phys. 105 (1996) 9982
58. Borqvist P., Alkauskas A., and Pasquarello A. Phys. Rev. B 78 (2008) 075203
59. Hedin L. Phys. Rev. 139 (1965) 796
60. Hybertsen M.S., and Louie S.G. Phys. Rev. B 34 (1986) 5390
61. Rinke P., Janotti A., Scheffler M., and Van de Walle C.G. Phys. Rev. Lett. 102 (2009) 026402
62. Csányi G., Moras G., Moras G., Kermode J.R., Payne M.C., Mainwood A., and De Vita A. In: Drabold D.A., and Estreicher S.K. (Eds). Theory of Defects in Semiconductors. Topics in Applied Physics vol. 104 (2007), Springer, Heidelberg 193
63. West D., and Estreicher S.K. Phys. Rev. Lett. 96 (2006) 115504
64. West D., and Estreicher S.K. Phys. Rev. B 75 (2007) 075206
65. Kohli K.K., Davies G., Vinh N.Q., West D., Estreicher S.K., Gregorkiewicz T., and Itoh K.M. Phys. Rev. Lett. 96 (2006) 225503
66. T.M. Gibbons, S.K. Estreicher, Phys. Rev. Lett. 102 (2009) 255502; 103 (2009) 099904.
67. Pereira R.N., Bech Nielsen B., Dobaczewski L., Peaker A.R., and Abrosimov N.V. Phys. Rev. B 71 (2005) 195201
68. Khirunenko L.I., Pomozov Yu.V., Sosnin M.G., Duvanskii A., Torres V.J.B., Coutinho J., Jones R., Briddon P.R., Abrosimov N.V., and Riemann H. Physica B 401-402 (2007) 200
69. Jones R., Carvalho A., Goss J.P., and Briddon P.R. Mater. Sci. Eng. B 159-160 (2009) 112
70. Watkins G.D., and Corbett J.W. Phys. Rev. 134 (1964) A1359
71. Larsen A.N., and Mesli A. Physica B 401-402 (2007) 85
72. av Skardi H., Bro Hansen A., Mesli A., and Larsen A.N. Nucl. Instr. Meth. B 186 (2002) 195
73. Chroneos A., Bracht H., Jiang C., Uberuaga B.P., and Grimes R.W. Phys. Rev. B 78 (2008) 195201
74. King P.J.C., Lichti R.L., Cottrell S.P., Yonenaga I., and Hitti B. Physica B 401-402 (2007) 617
75. Carroll B.R., Lichti R.L., King P.J.C., Celebi Y.G., Yonenaga I., and Chow K.H. Physica B 404 (2009) 812
76. Stoneham A.M. Physica B 340-342 (2004) 48
77. Watkins G.D. Physica B 376-377 (2006) 50
78. In: Schaefer III H.F. (Ed). Methods of Electronic Structure Theory (1977), Plenum, New York