Hostname: page-component-586b7cd67f-t7czq Total loading time: 0 Render date: 2024-11-25T15:34:28.998Z Has data issue: false hasContentIssue false

Electronic Structure of O-vacancy in High-k Dielectrics and Oxide Semiconductors

Published online by Cambridge University Press:  20 May 2011

Kee Joo Chang
Affiliation:
Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea
Byungki Ryu
Affiliation:
Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea
Hyeon-Kyun Noh
Affiliation:
Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea
Junhyeok Bang
Affiliation:
Department of Physics, Rensselaer Polytechnic Institute, New York, USA
Eun-Ae Choi
Affiliation:
CAE TEAM, Memory Division, Samsung El. Co., Hwasung, Korea
Get access

Abstract

First-principles density functional calculations are performed to investigate the electronic properties of O-vacancy defects in high-k HfO2, Si/HfO2 interface, and amorphous oxide semiconductors. The role of O-vacancy in device performance is discussed by comparing the results of the GGA, hybrid density functional, and quasiparticle energy calculations.

Type
Research Article
Copyright
Copyright © Materials Research Society 2011

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. The 2004 International Technology Roadmap for Semiconductors, Emerging Research Devices, http://public.itrs.net.Google Scholar
2. Schulz, M., Nature (London) 399, 729 (1999).Google Scholar
3. Ieong, M., Doris, B., Kedzierski, J., Rim, K. and Yang, M., Science 306, 2057 (2004).Google Scholar
4. Green, M. L., Gusev, E. P., Degraeve, R. and Garfunkel, E. L., Appl. Phys. Rev. 90, 2057 (2001).Google Scholar
5. Wilk, G. D., Wallace, R. M. and Anthony, J. M., J. Appl. Phys. 89, 5243 (2001).Google Scholar
6. Hobbs, C. C., Fonseca, L. R. C., Knizhnik, A., Dhandapani, V., Samavedam, S. B., Taylor, W. J., Grant, J. M., Dip, L. G., Triyoso, D. H., Hegde, R. I., Gilmer, D. C., Garcia, R., Roan, D., Luke Lovejoy, M., Rai, R. S., Hebert, E. A., Tseng, H.-H., Anderson, S. G. H., White, B. E. and Tobin, P. J., IEEE Trans. Electron Devices 51, 978 (2004).Google Scholar
7. Ribs, G., Mitard, J., Denais, M., Bruyere, S., Monsieur, F., Parthasarathy, C., Vincent, E. and Ghibaudo, G., IEEE Trans. Device Mater. Reliab. 5, 5 (2005).Google Scholar
8. Tseng, H.-H., Grant, J. M., Hobbs, C., Tobin, P. J., Luo, Z., Ma, T. P., Hebert, L., Ramon, M., Kalpat, S., Wang, F., Triyoso, D., Gilmer, D. C., White, B. E., Abramowitz, P. and Moosa, M., IEEE Symp. VLSI Tech. 2005, 132 (2005).Google Scholar
9. Noh, H.-K., Ryu, B., Choi, E.-A., Bang, J. and Chang, K. J., Appl. Phys. Lett. 95, 082905 (2009).Google Scholar
10. Xiong, K., Peacock, P. W. and Robertson, J., Appl. Phys. Lett. 86, 012904 (2005).Google Scholar
11. Shiraishi, K., Yamada, K., Torii, K., Akasaka, Y., Nakajima, K., Konno, M., Chikyow, T., Kitajima, H. and Arikado, T., Jpn. J. Appl. Phys. 43, L1413 (2004).Google Scholar
12. Xiong, K., Robertson, J., Gibson, M. C. and Clark, S. J., Appl. Phys. Lett. 87, 183505 (2005).Google Scholar
13. Gavartin, J. L., Ramo, D. M., Shluger, A. L., Bersuker, G. and Lee, B. H., Appl. Phys. Lett. 89, 082908 (2006).Google Scholar
14. Broqvist, P. and Pasquarello, A., Appl. Phys. Lett. 89, 262904 (2006).Google Scholar
15. Broqvist, P., Alkauskas, A. and Pasquarello, A., Appl. Phys. Lett. 92, 132911 (2008).Google Scholar
16. Choi, E.-A. and Chang, K. J., Appl. Phys. Lett. 94, 122901 (2009).Google Scholar
17. Ryu, B. and Chang, K. J., Appl. Phys. Lett. 97, 242910 (2010).Google Scholar
18. Nomura, K., Ohta, H., Takagi, A., Kamiya, T., Hirano, M. and Hosono, H., Nature (London) 432, 488 (2004).Google Scholar
19. Kamiya, T., Nomura, K. and Hosono, H., J. Display Technology 5, 273 (2009).Google Scholar
20. Yabuta, H., Sano, M., Abe, K., Aiba, T., Den, T., Kumomi, H., Nomura, K., Kamiya, T. and Hosono, H., Appl. Phys. Lett. 89, 112123 (2006).Google Scholar
21. Suresh, A. and Muth, J. F., Appl. Phys. Lett. 92, 033502 (2008).Google Scholar
22. Lee, J.-M., Cho, I.-T., Lee, J.-H., Cheong, W.-S., Hwang, C.-S. and Kwon, H.-I., Appl. Phys. Lett. 94, 222112 (2009).Google Scholar
23. Nomura, K., Kamiya, T., Hirano, M. and Hosono, H., Appl. Phys. Lett. 95, 013502 (2009).Google Scholar
24. Lopes, M. E., Gomes, H. L., Medeiros, M. C. R., Barquinha, P., Pereira, L., Fortunato, E., Martins, R. and Ferreira, I., Appl. Phys. Lett. 95, 063502 (2009).Google Scholar
25. Lee, J., Park, J.-S., Pyo, Y. S., Lee, D. B., Kim, E. H., Stryakhilev, D., Kim, T. W., Jin, D. U. and Mo, Y.-G., Appl. Phys. Lett. 95, 123502 (2009).Google Scholar
26. Fung, T.-C., Chuang, C-.S., Nomura, K., Shieh, H.-P. D., Hosono, H. and Kanicki, J., J. Information Display 9, 21 (2008).Google Scholar
27. Takechi, K., Nakata, M., Eguchi, T., Yamaguchi, H. and Kaneko, S., Jpn. J. Appl. Phys. 48, 010203 (2009).Google Scholar
28. Lee, K.-H., Jung, J. S., Son, K. S., Park, J. S., Kim, T. S., Choi, R., Jeong, J. K., Kwon, J.-Y., Koo, B. and Lee, S., Appl. Phys. Lett. 95, 232106 (2009).Google Scholar
29. Shin, J.-H., Lee, J.-S., Hwang, C.-S., Park, S.-H. K., Cheong, W.-S., Ryu, M., Byun, C.-W., Lee, J.-I. and Chu, H. Y., ETRI J. 31, 62 (2009).Google Scholar
30. Ryu, B., Noh, H.-K., Choi, E.-A. and Chang, K. J., Appl. Phys. Lett. 97, 022108 (2010).Google Scholar
31. Noh, H.-K., Ryu, B. and Chang, K. J., Phys. Rev. B, submitted (2011).Google Scholar
32. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, ibid. 140, A1133(1965).Google Scholar
33. Perdew, J. P. and Wang, Y., Phys. Rev. B 45, 13244 (1992).Google Scholar
34. Vanderbilt, D., Phys. Rev. B 41, 7892 (1990).Google Scholar
35. Kresse, G. and Furthmüller, J., Phys. Rev. B 54, 11169 (1996); G. Kresse and J. Joubert, ibid. 59, 1758(1999).Google Scholar
36. Zhao, X., Ceresoli, D. and Vanderbilt, D., Phys. Rev. B 71, 085107 (2005).Google Scholar
37. Peacock, P. W., Xiong, K., Tse, K. and Robertson, J., Phys. Rev. B 73, 075328 (2006).Google Scholar
38. Perdew, J. P., Ernzerhof, M. and Burke, K., J. Chem. Phys. 105, 9982 (1996); A. V. Krukau, O. A. Vydrov, A. F. Izmaylov and G. E. Scuseria, J. Chem. Phys. 125, 224106(2006); A. Alkauskas, P. Broqvist, F. Devynck and A. Pasquarello, Phys. Rev. Lett. 101, 106802 (2008).Google Scholar
39. Hedin, L., Phys. Rev. 139, A796 (1965).Google Scholar
40. Hybertsen, M. S. and Louie, S. G., Phys. Rev. B 34, 5390 (1986).Google Scholar
41. Gonze, X., Rignanese, G.-M., Verstraete, M., Beuken, J.-M., Pouillon, Y., Caracas, R., Jollet, F., Torrent, M., Zerah, G., Mikami, M., Ghosez, Ph., Veithen, M., Raty, J.-Y., Olevano, V., Bruneval, F., Reining, L., Godby, R., Onida, G., Hamann, D. R. and Allan, D. C., Zeit. Kristallogr. 220, 558 (2005).Google Scholar
42. Hedström, M., Schindlmayr, A., Schwarz, G. and Scheffler, M., Phys. Rev. Lett. 97, 226401 (2006).Google Scholar
43. Afanas’ev, V. V., Stesmans, A., Chen, F., Shi, X. and Campbell, S. A., Appl. Phys. Lett. 81, 1053 (2002).Google Scholar
44. Takeuchi, H., Ha, D. and King, T.-J., J. Vac. Sci. Technol. A 22, 1337 (2004).Google Scholar
45. Van de Walle, C. G. and Martin, R. M., Phys. Rev. B 35, 8154 (1987).Google Scholar
46. Fulton, C. C., Lucovsky, G. and Nemanich, R. J., Appl. Phys. Lett. 84, 580 (2004).Google Scholar
47. Bersch, E., Rangan, S., Bartynski, R. A., Garfunkel, E. and Vescovo, E., Phys. Rev. B 78, 085114 (2008).Google Scholar
48. Wu, W. C., Wang, C.-S. L. T.-M., Wang, J.-C., Hsu, C. W., Ma, M. W., Lo, W.-C. and Chao, T. S., IEEE Trans. Electron Devices 55, 1639 (2008).Google Scholar
49. Zhu, W., Ma, T. P., Tamagawa, T., Kim, J. and Di, Y., IEEE Electron Device Lett. 23, 97 (2002).Google Scholar
50. Janotti, A. and Van de Walle, C. G., Appl. Phys. Lett. 87, 122102 (2005).Google Scholar
51. Janotti, A. and Van de Walle, C. G., Phys. Rev. B 76, 165202 (2007).Google Scholar
52. Lany, S. and Zunger, A., Phys. Rev. B 78, 235104 (2005).Google Scholar
53. Oba, F., Togo, A., Tanaka, I., Paier, J. and Kresse, G., Phys. Rev. B 77, 245202 (2008).Google Scholar
54. Clark, S. J., Robertson, J., Lany, S. and Zunger, A., Phys. Rev. B 81, 115311 (2010).Google Scholar
55. Lee, W.-J., Choi, E.-A., Bang, J., Ryu, B. and Chang, K. J., Appl. Phys. Lett. 93, 111901 (2008).Google Scholar
56. Lee, W.-J., Ryu, B. and Chang, K. J., Physica B 404, 4794 (2009).Google Scholar