The effect of Ga vacancies on the defect and magnetic properties of Mn-doped GaN

Journal of Applied Physics

Volumn 102, Issue 8, 2007, Pages

  Kang, Joongoo ^a   Chang, K J ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CRYSTAL LATTICES; CURIE TEMPERATURE; DANGLING BONDS; DOPING (ADDITIVES); FERMI LEVEL; FERROMAGNETISM; GALLIUM;

CHEMICAL BONDING EFFECTS; DANGLING BOND ORBITALS; FERROMAGNETIC STABILITY; NTIFERROMAGNETIC;

VACANCIES;

EID: 35648965203     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2799962     Document Type: Article

References (43)

1. T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Science 0036-8075 10.1126/science.287.5455.1019 287, 1019 (2000).
2. M. E. Overberg, C. R. Abernathy, S. J. Pearton, N. A. Theodoropoulou, K. T. McCarthy, and A. F. Hebard, Appl. Phys. Lett. 0003-6951 10.1063/1.1397763 79, 1312 (2001).
3. M. L. Reed, N. A. El-Masry, H. H. Stadelmaier, M. K. Ritums, M. J. Reed, C. A. Parker, J. C. Roberts, and S. M. Bedairet, Appl. Phys. Lett. 0003-6951 10.1063/1.1419231 79, 3473 (2001).
4. G. T. Thaler, M. E. Overberg, B. Gila, R. Frazier, C. R. Abernathy, S. J. Pearton, J. S. Lee, S. Y. Lee, Y. D. Park, Z. G. Khim, J. Kim, and F. Ren, Appl. Phys. Lett. 0003-6951 10.1063/1.1481533 80, 3964 (2002).
5. N. Theodoropoulou, A. F. Hebard, M. E. Overberg, C. R. Abernathy, S. J. Pearton, S. N. G. Chu, and R. G. Wilson, Appl. Phys. Lett. 0003-6951 10.1063/1.1376659 78, 3475 (2001).
6. T. Sasaki, S. Sonoda, Y. Yamamoto, K. Suga, S. Shimizu, K. Kindo, and H. Hori, J. Appl. Phys. 0021-8979 10.1063/1.1451879 91, 7911 (2002).
7. K. H. Kim, K. J. Lee, D. J. Kim, H. J. Kim, Y. E. Ihm, C. G. Kim, S. H. Yoo, and C. S. Kim, Appl. Phys. Lett. 0003-6951 10.1063/1.1586484 82, 4755 (2003).
8. S. Dhar, O. Brandt, A. Trampert, K. J. Friedland, Y. J. Sun, and K. H. Ploog, Phys. Rev. B 0163-1829 10.1103/PhysRevB.67.165205 67, 165205 (2003).
9. R. Y. Korotkov, J. M. Gregie, and B. W. Wessels, Appl. Phys. Lett. 0003-6951 10.1063/1.1456544 80, 1731 (2002).
10. T. Graf, M. Gjukic, M. S. Brandt, M. Stutzmann, and O. Ambacher, Appl. Phys. Lett. 0003-6951 10.1063/1.1530374 81, 5159 (2002).
11. P. Mahadevan and A. Zunger, Appl. Phys. Lett. 0003-6951 10.1063/1.1799245 85, 2860 (2004).
12. T. Graf, S. T. B. Goennenwein, and M. S. Brandt, Phys. Status Solidi B 0370-1972 10.1002/pssb.200301880 239, 277 (2003).
13. H. Akai, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.3002 81, 3002 (1998).
14. K. Sato, P. H. Dederics, and H. Katayama-Yoshida, Europhys. Lett. 0295-5075 10.1209/epl/i2003-00191-8 61, 403 (2003).
15. K. Sato, W. Schweika, P. H. Dederichs, and H. Katayama-Yoshida, Phys. Rev. B 70, 201202 (R) (2004).
16. L. Bergqvist, O. Eriksson, J. Kudrnovsk, V. Drchal, P. Korzhavyi, and I. Turek, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.137202 93, 137202 (2004).
17. K. Sato, H. Katayama-Yoshida, and P. H. Dederichs, Jpn. J. Appl. Phys., Part 2 0021-4922 10.1143/JJAP.44.L948 44, L948 (2005).
18. T. Fukushima, K. Sato, H. Katayama-Yoshida, and P. H. Dederichs, Jpn. J. Appl. Phys., Part 2 0021-4922 10.1143/JJAP.45.L416 45, L416 (2006).
19. H. Katayama-Yoshida, K. Sato, T. Fukushima, M. Toyoda, H. Kizaki, V. A. Dinh, and P. H. Dederichs, Phys. Status Solidi A 0031-8965 10.1002/pssa. 200673021 204, 15 (2007).
20. K. Sato, T. Fukushima, and H. Katayama-Yoshida, Jpn. J. Appl. Phys., Part 2 46, L682 (2007).
21. H. Munekata, H. Ohno, S. von Molnar, A. Segmüller, L. L. Chang, and L. Esaki, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.63.1849 63, 1849 (1989).
22. H. C. Jeon, T. W. Kang, T. W. Kim, J. Kang, and K. J. Chang, Appl. Phys. Lett. 0003-6951 10.1063/1.2032587 87, 092501 (2005).
23. E. J. Tarsa, B. Heying, X. H. Wu, P. Fini, S. P. DenBaars, and J. S. Speck, J. Appl. Phys. 0021-8979 10.1063/1.365575 82, 5472 (1997).
24. P. Mahadevan and S. Mahalakshmi, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.153201 73, 153201 (2006).
25. J. Kang, K. J. Chang, and H. Katayama-Yoshida, J. Supercond. 0896-1107 10.1007/s10948-005-2150-z 18, 55 (2005).
26. P. Hohenberg and W. Kohn, Phys. Rev. 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 0031-899X 10.1103/PhysRev.140.A1133 140, A1133 (1965).
27. P. Hohenberg and W. Kohn, Phys. Rev. 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 0031-899X 10.1103/PhysRev.140.A1133 140, A1133 (1965).
28. J. P. Perdew, in Electronic Structure of Solids, edited by, P. Ziesche, and, H. Eschrig, (Akademie-Verlag, Berlin, 1991).
29. S. Baroni, A. Dal Corso, D. de Gironcoli, and P. Giannozzi, http://www.pwscf.org
30. D. Vanderbilt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
31. H. J. Monkhorst and J. D. Pack, Phys. Rev. B. 13, 5188 (1976).
32. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
33. P. E. Blöchl, Phys. Rev. B 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
34. G. Kresse and D. Joubert, Phys. Rev. B 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
35. G. Kresse and J. Furthmüller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
36. P. Mahadevan and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68. 075202 68, 075202 (2003).
37. The errors in the total energy and the Fermi level caused by the use of the jellium background charge are large for multiply charged defects such as V Ga 2- and V Ga 3- in small-sized supercells. For the Ga vacancy, we obtain the (3-2-) transition levels at 0.74 and 1.03 eV using the 72- and 108-atom supercells, respectively. Here, we use the 108-atom supercell to compare the Fermi level and the acceptor levels of the multiply charged Ga vacancy with those for the MnGa - VGa complex.
38. S. Hautakangas, I. Makkonen, V. Ranki, M. J. Puska, K. Saarinen, X. Xu, and D. C. Look, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.193301 73, 193301 (2006).
39. S. Limpijumnong, S. B. Zhang, S. -H. Wei, and C. H. Park, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.92.155504 92, 155504 (2004).
40. B. Sanyal, O. Bengone, and S. Mirbt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68.205210 68, 205210 (2003).
41. M. Wierzbowska, D. Sánchez-Portal, and S. Sanvito, Phys. Rev. B 0163-1829 10.1103/PhysRevB.70.235209 70, 235209 (2004).
42. Since periodically Mn δ -doped layers induce large strains in the GaN region, abundant Ga vacancies would be promoted near the Mn layers, forming the MnGa - VGa complexes during epitaxial growth under N-rich conditions, although the formation energy of VGa is known to be high, especially in p -type GaN [C. G. Van de Walle and J. Neugebauer, J. Appl. Phys. 0021-8979 10.1063/1.1682673 95, 3851 (2004)].
43. D. F. Holcomb and J. J. Rehr, Jr., Phys. Rev. 0031-899X 10.1103/PhysRev.183.773 183, 773 (1969).