Density functional theory study for polycrystalline ZnO doped with Si or Nb

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 20, 2011, Pages

  Körner, Wolfgang ^a   Elsässer, Christian ^a  

^a FRAUNHOFER INSTITUTE FOR MECHANICS OF MATERIALS IWM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961148638     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.205306     Document Type: Article

References (33)

1. S. Lany and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.045501 98, 045501 (2007). (Pubitemid 46155740)
2. W. Körner and C. Elsässer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.085324 81, 085324 (2010).
3. T. Minami, H. Sato, H. Nanto, and S. Takata, Jpn. J. Appl. Phys. JAPLD8 0021-4922 10.1143/JJAP.25.L776 25, 776 (1986).
4. H. Sato, T. Minami, and S. Takata, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.578678 11, 2975 (1993). (Pubitemid 24759903)
5. A. K. Das, P. Misra, and L. M. Kukreja, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/42/16/165405 42, 165405 (2009).
6. J. M. Lin, Y. Z. Zhang, Z. Z. Ye, X. Q. Gu, X. H. Pan, Y. F. Yang, J. G. Lu, H. P. He, and B. H. Zhao, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/j.apsusc.2009.01.002 255, 6460 (2009).
7. J. Shao, W. Dong, D. Li, R. Tao, Z. Deng, T. Wang, G. Meng, S. Zhou, and X. Fang, Thin Solid Films THSFAP 0040-6090 10.1016/j.tsf.2010.04.068 518, 5288 (2010).
8. C. Feng, W. Yi-Ding, L. Da-Li, Y. Jing-Zhi, G. Bao-Jia, L. Lei, and A. Yu-Peng, Chin. Phys. Lett. CPLEEU 0256-307X 10.1088/0256-307X/26/3/034210 26, 034210 (2009).
9. J. W. Xu, H. Wang, M. H. Jiang, and X. Y. Liu, Bull. Mater. Sci. BUMSDW 0250-4707 10.1007/s12034-010-0016-x 33, 119 (2010).
10. F. Oba, H. Ohta, Y. Sato, H. Hosono, T. Yamamoto, and Y. Ikuhara, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.125415 70, 125415 (2004).
11. Y. Sato and T. Yamamoto, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1551-2916.2006.01481.x 90, 337 (2007). (Pubitemid 46160477)
12. P. Rinke, A. Janotti, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.026402 102, 026402 (2009).
13. P. Agoston, K. Albe, R. M. Nieminen, and M. J. Puska, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.245501 103, 245501 (2009).
14. S. J. Clark, J. Robertson, S. Lany, and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115311 81, 115311 (2010).
15. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.5495 54, 5495 (1996).
16. C. Elsässer, N. Takeuchi, K. M. Ho, C. T. Chan P. Braun, and M. Fähnle, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/2/19/ 006 2, 4371 (1990).
17. K. M. Ho, C. Elsässer, C. T. Chan, and M. Fähnle, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/4/22/017 4, 5189 (1992).
18. B. Meyer, K. Hummler, C. Elsässer, and M. Fähnle, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/7/48/010 7, 9201 (1995).
19. F. Lechermann, M. Fähnle, B. Meyer, and C. Elsässer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.165116 69, 165116 (2004).
20. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
21. D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.32.8412 32, 8412 (1985).
22. C. D. Pemmaraju, T. Archer, D. Sanchez-Portal, and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.045101 75, 045101 (2007).
23. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vettering, Numerical Recipies (Cambridge University Press, Cambridge, England, 1986), Chap. 10.7.
24. C. G. Van de Walle and J. Neugebauer, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1682673 95, 3851 (2003).
25. Y. Yan, S. B. Zhang, and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5723 86, 5723 (2000).
26. P. Deak, B. Aradi, T. Frauenheim, and A. Gali, Mater. Sci. Eng. B MSBTEK 0921-5107 10.1016/j.mseb.2008.10.024 154-155, 187 (2008).
27. J. M. Carlsson, H. S. Domingos, P. D. Bristowe, and B. Hellsing, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.165506 91, 165506 (2003).
28. S. B. Zhang, S.-H. Wei, and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.075205 63, 075205 (2001).
29. A. Janotti and C. G. Van de Walle, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.165202 76, 165202 (2007).
30. F. Oba, A. Togo, I. Tanaka, J. Paier, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.245202 77, 245202 (2008).
31. Handbook of Chemistry and Physics, 73 ed., edited by, D. R. Lide, (CRC, Boca Raton, FL, 1992).
32. S.-M. Park, T. Ikegami, K. Ebihara, and P.-K. Shin, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/j.apsusc.2006.02.046 253, 1522 (2006). (Pubitemid 44709334)
33. E. L. Papadopoulou, M. Varda, K. Kouroupis-Agalou, M. Androulidaki, E. Chikoidze, P. Galtier, G. Huyberechts, and E. Aperathitis, Thin Solid Films THSFAP 0040-6090 10.1016/j.tsf.2008.04.022 516, 8141 (2008)