Effects of O vacancies and C doping on dielectric properties of ZrO 2: A first-principles study

Applied Physics Letters

Volumn 89, Issue 20, 2006, Pages

  Dutta, Gargi ^a   Hembram, K P S S ^b   Rao, G Mohan ^b   Waghmare, Umesh V ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^b INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DIELECTRIC PROPERTIES; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; MAGNETIC ANISOTROPY; PHONONS; PROBABILITY DENSITY FUNCTION;

CARBON DOPING; DIELECTRIC RESPONSE; PLANE WAVES;

ZIRCONIA;

EID: 33751071323     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2388146     Document Type: Article

References (22)

1. Materials Fundamentals of Gate Dielectrics, edited by, A. A. Demkov, and, A. Navrotsky, (Springer, The Netherlands, 2005).
2. R. M. Wallace and G. D. Wilk, Crit. Rev. Solid State Mater. Sci. 28, 231 (2003).
3. G. D. Wilk, R. M. Wallace, and J. M. Anthony, J. Appl. Phys. 89, 5243 (2001).
4. T. S. Jeon, J. M. White, and D. L. Kwong, Appl. Phys. Lett. 78, 368 (2001).
5. J. Koo, Y. Kim, and H. Jeon, Jpn. J. Appl. Phys., Part 1 41, 3043 (2002).
6. V. Fiorentini and G. Gulleri, Phys. Rev. Lett. 89, 266101 (2002).
7. G.-M. Rignanese, F. Detraux, X. Gonze, and A. Pasquarello, Phys. Rev. B 64, 134301 (2001).
8. A. S. Foster, V. B. Sulimov, F. L. Gejo, A. L. Shluger, and R. M. Nieminen, Phys. Rev. B 64, 224108 (2001).
9. R. Puthenkovilakam, E. A. Carter, and J. P. Chang, Phys. Rev. B 69, 155329 (2004).
10. L. K. Dash, N. Vast, P. Baranek, M. C. Cheynet, and L. Reining, Phys. Rev. B 70, 245116 (2004).
11. U. V. Waghmare and K. M. Rabe, in Materials Fundamentals of Gate Dielectrics, edited by, A. A. Demkov, and, A. Navrotsky, (Springer, The Netherlands, 2005), p. 215.
12. K. Chu, J. P. Chang, M. L. Steigerwald, R. M. Fleming, R. L. Opila, D. V. Lang, R. B. Van Dover, and C. D. W. Jones, J. Appl. Phys. 91, 308 (2002).
13. M. Petersen, M. T. Schulberg, and L. A. Gochberg, Appl. Phys. Lett. 82, 2041 (2003).
14. K. P. S. S. Hembram and G. Mohan Rao, Proceedings of the IWPSD, 337-339 (2003).
15. S. Baroni, A. Dal Corso, S. de Gironcoli, and P. Giannozzi, http://www.pwscf.org
16. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
17. http://www.library.cornell.edu/nr/bookcpdf/c10-7.pdf
18. X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J. Y. Raty, and D. C. Allan, Comput. Mater. Sci. 25, 478 (2002), URL http://www.abinit.org
19. X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J. Y. Raty, and D. C. Allan, Comput. Mater. Sci. 25, 478 (2002), URL http://www.abinit.org
20. S. Goedecker, SIAM J. Sci. Comput. (USA) 18, 1605 (1997).
21. J. E. Jaffe, R. A. Bachorz, and M. Gutowski, Phys. Rev. B 72, 144107 (2005).
22. X. Zhao and D. Vanderbilt, Phys. Rev. B 65, 075105 (2002).