Ab initio study of magnetic properties of complexes formed by an Fe impurity and an intrinsic interstitial defect in ZnO

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 2, 2011, Pages

  Debernardi, A ^a   Fanciulli, M ^a,b  

^a INFM   (Italy)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961191516     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.024415     Document Type: Article

References (33)

1. See, e.g., K. Sato, L. Bergqviist, J. Kudornovský, P. H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V. A. Dinh, T. Fukushima, H. Kizaki, and R. Zeller, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.82.1633 82, 1633 (2010);
2. A. Zunger, S. Lany, and H. Reabiger, Physics RMPHAT 1943-2879 10.1103/Physics.3.53 3, 53 (2010);
3. T. Dietl, Net. Mater. 1476-1122 10.1038/nmat2898 9, 965 (2010).
4. T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Science SCIEAS 0036-8075 10.1126/science.287.5455.1019 287, 1019 (2000). (Pubitemid 30094353)
5. B. B. Straumal, A. A. Mazilkin, S. G. Protasova, A. A. Myatiev, P.B. Straumal, G. Schutz, P. A. van Aken, E. Goering, and B. Baretzky, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.205206 79, 205206 (2009).
6. G. Weier, H. P. Gunnlaugsson, R. Mantovan, M. Fanciulli, D. Naidoo, K. Bharuth-Ram, and T. Agne, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2821290 102, 113915 (2007). (Pubitemid 350262125)
7. D. Azamat and M. Fanciulli, Physica B PHYBE3 0921-4526 10.1016/j.physb.2007.08.193 401, 382 (2007). (Pubitemid 350102116)
8. M. Venkatesan, C. B. Fitzgerald, J. G. Lunney, and J. M. D. Coey, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.177206 93, 177206 (2004).
9. P. Wu, G. Saraf, Y. Lu, D. H. Hill, R. Gateau, L. Wielunski, R. A. Bartynski, D. A. Arena, J. Dvorak, A. Moodenbaugh, T. Siegrist, J. A. Raley, and Y. K. Yeo, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2213519 89, 012508 (2006). (Pubitemid 44025426)
10. C. Song, K. W. Geng, F. Zeng, X. B. Wang, Y. X. Shen, F. Pan, Y. N. Xie, T. Liu, H. T. Zhou, and Z. Fan, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.73.024405 73, 024405 (2006). (Pubitemid 43276624)
11. N. H. Hong, J. Sakai, N. T. Huong, N. Poirot, and A. Ruyter, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.72.045336 72, 045336 (2005). (Pubitemid 41526625)
12. K. R. Kittilstved, N. S. Norberg, and D. R. Gamelin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.147209 94, 147209 (2005). (Pubitemid 40620443)
13. Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.70.052408 70, 052408 (2004).
14. D. Karmakar, S. K. Mandal, R. M. Kadam, P. L. Paulose, A. K. Rajarajan, T. K. Nath, A. K. Das, I. Dasgupta, and G. P. Das, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.75.144404 75, 144404 (2007).
15. S. Kolesnik, B. Dabrowski, and J. Mais, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1644638 95, 2582 (2004).
16. S. Kolesnik and B. Dabrowski, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1755428 96, 5379 (2004).
17. G. Lawes, A. S. Risbud, A. P. Ramirez, and R. Seshadri, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.71.045201 71, 045201 (2005). (Pubitemid 40418076)
18. H. P. Gennlaugsson, T. E. Mølholt, R. Mantovan, H. Masenda, D. Naidoo, W. B. Dlamini, R. Sielemann, K. Bharuth-Ram, G. Weyer, K. Johnston, G. Langouche, S. Alafsson, H. P. Gíslason, Y. Kobayashi, Y. Yoshida, and M. Fanciulli, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3490708 97, 142501 (2010).
19. E.-J. Yun, J. W. Jung, Y. H. Han, M.-W. Kim, and B. C. Lee, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3149783 105, 123509 (2009).
20. A. Debernardi and M. Fanciulli, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2742597 90, 212510 (2007). (Pubitemid 46828091)
21. A. Debernardi and M. Fanciulli, Physica B PHYBE3 0921-4526 10.1016/j.physb.2007.08.209 401, 451 (2007). (Pubitemid 350102130)
22. A. Debernardi and M. Fanciulli, Physica B PHYBE3 0921-4526 10.1016/j.physb.2009.08.177 404, 4791 (2009).
23. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
24. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (E) (1997).
25. S. Baroni, A. Dal Corso, S. de Gironcoli, and P. Giannozzi, [http://www.pwscf.org].
26. A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.41.1227 41, 1227 (1990).
27. D. Vanderbilt, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.32.8412 32, 8412 (1985).
28. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
29. A. F. Kohan, G. Ceder, D. Morgan, and Chris G. Van de Walle, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.61.15019 61, 15019 (2000).
30. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
31. M. Leslie and M. J. Gillan, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/18/5/005 18, 973 (1985).
32. A. Jannotti and C. G. Van de Walle, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2053360 87, 122102 (2005). (Pubitemid 41717369)
33. F. Tuomisto, K. Saarinen, D. C. Look, and G. C. Farlow, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.72.085206 72, 085206 (2005). (Pubitemid 43406050)