Magnetism mechanism in ZnO and ZnO doped with nonmagnetic elements X (X Li, Mg, and Al): A first-principles study

Applied Physics Letters

Volumn 100, Issue 13, 2012, Pages

  Wang, Q J ^a   Wang, J B ^a   Zhong, X L ^a   Tan, Q H ^a   Hu, Z ^a   Zhou, Y C ^a  

^a XIANGTAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLING MODELS; FERROMAGNETIC COUPLING; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; NONMAGNETIC ELEMENTS; SPIN-POLARIZED; ZNO;

CALCULATIONS; MAGNETIC COUPLINGS; MAGNETIC MOMENTS; VACANCIES; ZINC;

ZINC OXIDE;

EID: 84859537423     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3698096     Document Type: Article

References (32)

1. P. Sharma, A. Gupta, K. V. Rao, F. J. Owens, R. Sharma, R. Ahuja, J. M. Osorio Guillen, B. Johansson, and G. A. Gehring, Nature Mater. 2, 673-677 (2003). 10.1038/nmat984
2. K. R. Kittilstved, W. K. Liu, and D. R. Gamelin, Nature Mater. 5, 291-297 (2006). 10.1038/nmat1616
3. S. H. Liu, H. S. Hsu, G. Venkataiah, X. Qi, C. R. Lin, J. F. Lee, K. S. Liang, and J. C. A. Huang, Appl. Phys. Lett. 96, 262504 (2010). 10.1063/1.3456381
4. Y. Fukuma, F. Odawara, H. Asada, and T. Koyanagi, Phys. Rev. B 78, 104417 (2008). 10.1103/PhysRevB.78.104417
5. Y. F. Tian, Y. F. Li, M. He, I. A. Putra, H. Y. Peng, B. Yao, S. A. Cheong, and T. Wu, Appl. Phys. Lett. 98, 162503 (2011). 10.1063/1.3579544
6. H. L. Yan, J. B. Wang, X. L. Zhong, and Y. C. Zhou, Appl. Phys. Lett. 93, 142502 (2008). 10.1063/1.2993354
7. H. L. Yan, X. L. Zhong, J. B. Wang, G. J. Huang, S. L. Ding, G. C. Zhou, and Y. C. Zhou, Appl. Phys. Lett. 90, 082503 (2007). 10.1063/1.2460297
8. J. M. D. Coey, M. Venkatesan, and C. B. Fitzgerald, Nature Mater. 4, 173-179 (2005). 10.1038/nmat1310 (Pubitemid 40178719)
9. T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrant, Science 287, 1019 (2000). 10.1126/science.287.5455.1019 (Pubitemid 30094353)
10. K. Rode, R. Mattana, A. Anane, V. Cros, E. Jacquet, J. P. Contour, F. Petroff, and A. Fert, Appl. Phys. Lett. 92, 012509 (2008). 10.1063/1.2829610
11. J. B. Yi, Phys. Rev. Lett. 104, 137201 (2010). 10.1103/PhysRevLett.104. 137201
12. S. Chawla, K. Jayanthi, and R. K. Kotnala, Phys. Rev. B 79, 125204 (2009). 10.1103/PhysRevB.79.125204
13. Y. W. Ma, J. Ding, J. B. Yi, H. T. Zhang, and C. M. Ng, J. Appl. Phys. 105, 07C503 (2009). 10.1063/1.3056585
14. Y. F. Li, R. Deng, B. Yao, G. Z. Xing, D. D. Wang, and T. Wu, Appl. Phys. Lett. 97, 102506 (2010). 10.1063/1.3485058
15. S. Banerjee, M. Mandal, N. Gayathri, and M. Sardar, Appl. Phys. Lett. 91, 182501 (2007). 10.1063/1.2804081 (Pubitemid 350037208)
16. N. H. Hong, J. Sakai, and V. Brizé, J. Phys.: Condens. Matter 19, 036219 (2007). 10.1088/0953-8984/19/3/036219 (Pubitemid 46478597)
17. M. Khalid, M. Ziese, A. Setzer, P. Esquinazi, M. Lorenz, H. Hochmuth, M. Grundmann, D. Spemann, T. Butz, G. Brauer, Phys. Rev. B 80, 035331 (2009). 10.1103/PhysRevB.80.035331
18. Q. Wang, Q. Sun, G. Chen, Y. Y. Kawazoe, and P. Jena, Phys. Rev. B 77, 205411 (2008). 10.1103/PhysRevB.77.205411
19. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, J. Phys.: Condens. Matter 21, 395502 (2009). 10.1088/0953-8984/21/39/395502
20. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
21. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
22. J. D. Pack and H. J. Monkhorst, Phys. Rev. B 16, 1748 (1977). 10.1103/PhysRevB.16.1748
23. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989). 10.1103/PhysRevB.40.3616
24. H. W. Peng, H. J. Xiang, S.-H. Wei, S. S. Li, J. B. Xia, and J. B. Li, Phys. Rev. Lett. 102, 017201 (2009). 10.1103/PhysRevLett.102.017201
25. S. M. Evans, N. C. Giles, L. E. Halliburton, and L. A. Kappers, J. Appl. Phys. 103, 043710 (2008). 10.1063/1.2833432 (Pubitemid 351327521)
26. P. W. Anderson and H. Hasegawa, Phys. Rev. 100, 675-681 (1955). 10.1103/PhysRev.100.675
27. M. van Schilfgaarde and O. N. Mryasov, Phys. Rev. B 63, 233205 (2001). 10.1103/PhysRevB.63.233205
28. G. M. Dalpian, S.-H. Wei, X. G. Gong, A. J. R. Silva, and A. Fazzio, Solid State Commun. 138, 353 (2006). 10.1016/j.ssc.2006.03.002
29. X. Y. Peng and R. Ahuja, Appl. Phys. Lett. 94, 102504 (2009). 10.1063/1.3095601
30. S. Limpijumnong, S. B. Zhang, S.-H. Wei, and C. H. Park, Phys. Rev. Lett. 92, 155504 (2004). 10.1103/PhysRevLett.92.155504
31. Some recent calculations show that when additional nonlocal external potentials [J. A. Chan, Phys. Rev. Lett. 103, 016404 (2009)] or screened exchange potentials 10.1103/PhysRevLett.103.016404
32. d, and the ferromagnetic coupling is significantly reduced. However, these results cannot explain the experimental observations demonstrated in Refs., suggesting that further investigations are needed to clarify this issue. 10.1103/PhysRevB.81.115311