Donor levels for selected n -type dopants in diamond: A computational study of the effect of supercell size

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 24, 2006, Pages

  Goss, J P ^a   Briddon, P R ^a   Eyre, R J ^a  

^a NEWCASTLE UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33846266555     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.245217     Document Type: Article

References (52)

1. J. Isberg, J. Hammersberg, E. Johansson, T. Wikström, D. J. Twitchen, A. J. Whitehead, S. E. Coe, and G. A. Scarsbrook, Science SCIEAS 0036-8075 10.1126/science.1074374 297, 1670 (2002).
2. R. Farrer, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(69) 90593-6 7, 685 (1969).
3. W. V. Smith, P. P. Sorokin, I. L. Gelles, and G. J. Lasher, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.115.1546 115, 1546 (1959).
4. E. Gheeraert, S. Koizumi, T. Teraji, and H. Kanda, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(99)00546-3 113, 577 (2000).
5. S. Koizumi, K. Watanabe, M. Hasegawa, and H. Kanda, Science SCIEAS 0036-8075 10.1126/science.1060258 292, 1899 (2001).
6. T. Nishimatsu, H. Katayama-Yoshida, and N. Orita, Jpn. J. Appl. Phys., Part 1 JAPNDE 0021-4922 10.1143/JJAP.41.1952 41, 1952 (2002).
7. T. Nishimatsu, H. Katayama-Yoshida, and N. Orita, Physica B PHYBE3 0921-4526 302-303, 149 (2001).
8. T. Miyazaki, H. Okushi, and T. Uda, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1381041 78, 3977 (2001).
9. T. Miyazaki, H. Okushi, and T. Uda, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.066402 88, 066402 (2002).
10. Y. Dai, D. Dai, D. Liu, S. Han, and B. Huang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1650909 84, 1895 (2004).
11. D. Segev and S.-H. Wei, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.126406 91, 126406 (2003).
12. J. P. Goss, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/17/201 15, R551 (2003).
13. E. B. Lombardi, A. Mainwood, and K. Osuch, Diamond Relat. Mater. DRMTE3 0925-9635 10.1016/S0925-9635(02)00233-9 12, 490 (2003).
14. E. B. Lombardi, A. Mainwood, and K. Osuch, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.205201 70, 205201 (2004).
15. J. P. Goss, P. R. Briddon, S. J. Sque, and R. Jones, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.165215 69, 165215 (2004).
16. J. Singh, Physics of Semiconductors and Their Heterostructures (McGraw-Hill, New York, 1993).
17. W. Götz, A. Schöner, G. Pensl, W. Suttrop, W. J. Choyke, R. Stein, and S. Leibenzeder, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.352983 73, 3332 (1993).
18. V. Heera, F. Fontaine, W. Skorupa, B. Pécz, and Á. Barna, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.126932 77, 226 (2000).
19. H. Weishart, V. V. Heera, and W. Skorupa, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1898448 97, 103514 (2005).
20. H. Weishart, F. Eichhorn, V. V. Heera, B. Pécz, Á. Barna, and W. Skorupa, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2009073 98, 043503 (2005).
21. C. E. Nebel and M. Stutzmann, in Properties, Growth and Applications of Diamond EMIS Datareviews Series, No. 26, edited by, M. H. Nazaré, and, A. J. Neves, (INSPEC, Institute of Electrical Engineers, London, 2001), Chap., pp. 40-52.
22. S. M. Sze, Physics of Semiconductor Devices, 2nd ed. (Wiley-Interscience, New York, 1981).
23. T. Miyazaki and S. Yamasaki, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1977207 86, 261910 (2005).
24. C. D. Clark, H. Kanda, I. Kiflawi, and G. Sittas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.16681 51, 16681 (1995).
25. J. P. Goss, R. Jones, S. J. Breuer, P. R. Briddon, and S. Öberg, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3041 77, 3041 (1996).
26. R. Jones, J. E. Lowther, and J. Goss, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.117715 69, 2489 (1996).
27. J. P. Goss, P. R. Briddon, M. J. Rayson, S. J. Sque, and R. Jones, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.035214 72, 035214 (2005);
28. J. P. Goss, P. R. Briddon, M. J. Rayson, S. J. Sque, and R. Jones, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.199904 73, 199904 (E) (2006).
29. R. J. Eyre, J. P. Goss, P. R. Briddon, and J. P. Hagon, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/17/37/018 17, 5831 (2005).
30. R. Jones and P. R. Briddon, in Semiconductors and Semimetals, edited by, M. Stavola, (Academic Press, Boston, 1998), Vol. 51A, Chap..
31. C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.3641 58, 3641 (1998).
32. J. P. Goss, M. J. Shaw, and P. R. Briddon, Top. Appl. Phys. TAPHD4 0303-4216 104, 69 (2006).
33. D. A. Liberman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.6851 62, 6851 (2000).
34. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
35. S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339 67, 2339 (1991).
36. G. Makov and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4014 51, 4014 (1995).
37. H. Nozaki and S. Itoh, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.62. 1390 62, 1390 (2000).
38. U. U. Gerstmann, P. Deák, R. Rurali, B. Aradi, Th. Frauenheim, and H. Overhof, Physica B PHYBE3 0921-4526 340-342, 190 (2003).
39. C. W. M. Castleton and S. Mirbt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.195202 70, 195202 (2004).
40. J. Shim, E.-K. Lee, Y. J. Lee, and R. M Nieminen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.035206 71, 035206 (2005).
41. C. W. M. Castleton, A. Höglund, and S. Mirbt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.035215 73, 035215 (2006).
42. P. Erhart, K. Albe, and A. Klein, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.205203 73, 205203 (2006).
43. J. Coutinho, V. J. B. Torres, R. Jones, and P. R. Briddon, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.035205 67, 035205 (2003).
44. M. I. J. Probert and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.075204 67, 075204 (2003).
45. S. A. Kajihara, A. Antonelli, J. Bernholc, and R. Car, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.66.2010 66, 2010 (1991).
46. L. G. Wang and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.161202 66, 161202 (R) (2002).
47. S. J. Sque, R. Jones, J. P. Goss, and P. R. Briddon, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.017402 92, 017402 (2004).
48. S. Fahy, K. J. Chang, S. G. Louie, and M. L. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.35.5856 35, 5856 (1987).
49. H. J. McSkimin and P. Andreatch, Jr., J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1702809 35, 2161 (1964).
50. J. P. Goss, R. Jones, and P. R. Briddon, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035203 65, 035203 (2002).
51. P. W. May, M. Davey, K. N. Rosser, and P. J. Heard (private communication).
52. J. P. Goss, P. R. Briddon, R. Sachdeva, R. Jones, and S. J. Sque, in Physics of Semiconductors, edited by, J. Menendez, and, C. G. Van de Walle,, AIP Conf. Proc. No. 722A (AIP, Melville, NY, 2005), p. 91.