Zn-doped BaTiO3 Materials: A DFT Investigation for Optoelectronic and Ferroelectric Properties Improvement
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50. J.-Z. Kong, A.-D. Li, H.-F. Zhai, H. Li, Q.-Y. Yan, J. Ma and D. Wu, Journal of Hazardous Materials, 171, (2009).
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2. C. Xun, L. Xiaomin, G. Xiangdong, L. Xinjun, Y. Chang, Y. Rui and J. Ping, Journal of Physics D: Applied Physics, 44, (2011).
3. M. K. Gupta, N. Sinha and B. Kumar, Journal of Applied Physics, 112, (2012).
4. F. Zhang, X. Li, X. Gao, L. Wu, F. Zhuge, Q. Wang, X. Liu, R. Yang and Y. He, Solid State Communications, 152, (2012).
5. S. Nedic, Y. Tea Chun, W.-K. Hong, D. Chu and M. Welland, Applied Physics Letters, 104, (2014).
6. M. K. Gupta and B. Kumar, Journal of Materials Chemistry, 21, (2011).
7. T. Qiuhong, W. Jinbin, Z. Xiangli, Z. Yichun, W. Qianjin, Z. Yi, X. Zhang and S. Huang, Electron Devices, IEEE Transactions on, 58, (2011).
8. J. I. Sohn, S. S. Choi, S. M. Morris, J. S. Bendall, H. J. Coles, W.-K. Hong, G. Jo, T. Lee and M. E. Welland, Nano Letters, 10, (2010).
9. S. Lee, H. Kim, D.-J. Yun, S.-W. Rhee and K. Yong, Applied Physics Letters, 95, (2009).
10. D. U. Lee, E. K. Kim, W.-J. Cho, Y.-H. Kim and H. Im, Thin Solid Films, 521, (2012).
11. J.-W. Zhao, F.-J. Liu, H.-Q. Huang, Z.-F. Hu and X.-Q. Zhang, Chinese Physics B, 21, (2012).
12. Y. H. Kang, J.-H. Choi, T. I. Lee, W. Lee and J.-M. Myoung, Solid State Communications, 151, (2011).
13. M. W. Davidson and G. E. Lofgren, Journal of Geological Education, 39, (1991).
14. P. Erhart and K. Albe, Journal of Applied Physics, 102, (2007).
15. M. Yashima, T. Hoshina, D. Ishimura, S. Kobayashi, W. Nakamura, T. Tsurumi and S. Wada, Journal of Applied Physics, 98, (2005).
16. R. A. Evarestov and A. V. Bandura, Journal of Computational Chemistry, 33, (2012).
17. P. Kumar, S. Singh, M. Spah, J. K. Juneja, C. Prakash and K. K. Raina, Journal of Alloys and Compounds, 489, (2010).
18. S.-H. Yao, J.-K. Yuan, P. Gonon, J. Bai, S. Pairis and A. Sylvestre, Journal of Applied Physics, 111, (2012).
19. Z.-X. Chen, Y. Chen and Y.-S. Jiang, The Journal of Physical Chemistry B, 105, (2001).
20. B. Wodecka-Dus and D. Czekaj, Archives of Metallurgy and Materials, 54, (2009).
21. J. A. Dawson, J. H. Harding, H. Chen and D. C. Sinclair, Journal of Applied Physics, 111, (2012).
22. H. L. Kwok, Electronic Materials (PWS Publishing Company, Boston, 1997).
23. A. R. West, Basic solid state chemistry (John Wiley & Sons, Chichester, 2006), 2 ed. edn.
24. A. Y. Fasasi, M. Maaza, E. G. Rohwer, D. Knoessen, C. Theron, A. Leitch and U. Buttner, Thin Solid Films, 516, (2008).
25. A. Y. Fasasi, M. Maaza, C. Theron, P. Neethling, U. Buttner, A. Leitch and A. K. Chaudhary, Thin Solid Films, 516, (2008).
26. J.-P. Zou, L.-Z. Zhang, S.-L. Luo, L.-H. Leng, X.-B. Luo, M.-J. Zhang, Y. Luo and G.-C. Guo, International Journal of Hydrogen Energy, 37, (2012).
27. H.-S. Kwon, H.-I. Yoo, C.-H. Kim and K.-H. Hur, Journal of Applied Physics, 107, (2010).
28. C. Tian, Z. Yue, Y. Zhou and L. Li, Journal of Solid State Chemistry, 197, (2013).
29. A. C. Caballero, J. F. Fernández, C. Moure and P. Durán, Journal of the European Ceramic Society, 17, (1997).
30. A. C. Caballero, J. F. Fernández, C. Moure, P. Durán and Y.-M. Chiang, Journal of the American Ceramic Society, 81, (1998).
31. M. F. Peintinger, D. V. Oliveira and T. Bredow, J. Comput. Chem., 34, (2013).
32. D. Zagorac, K. Doll, J. C. Schön and M. Jansen, Chemistry - A European Journal, 18, (2012).
33. P. J. Hay and W. R. Wadt, J. Chem. Phys., 82, (1985).
34. A. D. Becke, J. Chem. Phys., 98, (1993).
35. A. D. Becke, Phys. Rev. A, 38, (1988).
36. C. Pisani, R. Dovesi and C. Roetti, Hartree-Fock ab initio Treatment of Crystalline Systems. (Springer Berlin Heidelberg, 1988), Lecture Notes in Chemistry, 48.
37. R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V. R. Saunders and C.-M. Zicovich-Wilson, Zeitschrift für Kristallographie, 220, (2005).
38. R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. ZicovichWilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, P. D’Arco and M. Llunell, CRYSTAL09 User’s Manual (University of Torino, Torino, 2009).39. A. Kokalj, J. Mol. Graphics Modell., 17, (1999).
40. A. Kokalj, Comput. Mater. Sci., 28, (2003).
41. A. R. Denton and N. W. Ashcroft, Phys. Rev. A, 43, (1991).
42. L. Vegard, Zeitschrift für Physik, 5, (1921).
43. L. E. Smart, Solid state chemistry: an introduction. (Taylor & Francis, Boca Raton, 2005), 3 ed. edn.
44. W. Wang, Q. Zhao, J. Xu and D. Yu, CrystEngComm, 14, (2012).
45. S. Cho, S. Kim, E. Oh, S.-H. Jung and K.-H. Lee, CrystEngComm, 11, (2009).
46. P. Chen, L. Gu and X. Cao, CrystEngComm, 12, (2010).
47. Y. Yang, J. Qi, W. Guo, Q. Liao and Y. Zhang, CrystEngComm, 12, (2010).
48. L. J. Brillson and Y. Lu, Journal of Applied Physics, 109, (2011).
49. Y. Lee, S. Lee, H. T. Ryu and D. Y. Kim, AIP Conference Proceedings, 1399, (2011).
50. J.-Z. Kong, A.-D. Li, H.-F. Zhai, H. Li, Q.-Y. Yan, J. Ma and D. Wu, Journal of Hazardous Materials, 171, (2009).
51. Z. Ali, S. Ali, I. Ahmad, I. Khan and H. A. Rahnamaye Aliabad, Physica B: Condensed Matter, 420, (2013).
52. Q.-J. Liu, N.-C. Zhang, F.-S. Liu, H.-Y. Wang and Z.-T. Liu, physica status solidi (b), 250, (2013)
Publicado
2015-07-01
Como Citar
Lacerda, L. H. da S., Ribeiro, R. A. P., Andrade, A. M. de, & Lazaro, S. R. de. (2015). Zn-doped BaTiO3 Materials: A DFT Investigation for Optoelectronic and Ferroelectric Properties Improvement. Revista Processos Químicos, 9(18), 274-280. https://doi.org/10.19142/rpq.v9i18.323
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