Stress dependence of oxidation reaction at SiO2/Si interfaces during silicon thermal oxidation

Japanese Journal of Applied Physics

Volumn 47, Issue 9 PART 1, 2008, Pages 7089-7093

  Akiyama, Toru ^a   Kageshima, Hiroyuki ^b   Uematsu, Masashi ^c   Ito, Tomonori ^a  

^a MIE UNIVERSITY   (Japan)

^b NTT Basic Research Laboratories   (Japan)

^c KEIO UNIVERSITY   (Japan)

Author keywords

Activation energy; Activation volume; First principles calculation; Interfacial reaction; Oxygen molecule; Silicon oxide

Indexed keywords

CHEMICAL OXYGEN DEMAND; INTERFACIAL ENERGY; MOLECULES; OXIDATION; OXYGEN; SILICA; SILICON; SILICON COMPOUNDS; SOLID STATE PHYSICS; LIGHT POLARIZATION; OXIDES;

ACTIVATION VOLUME; FIRST-PRINCIPLES CALCULATION; INTERFACIAL REACTION; OXYGEN MOLECULE; SILICON OXIDE; EXPERIMENTAL DATUM; FIRST-PRINCIPLES; FREE INTERFACES; INTERFACIAL STRESS; MICROSCOPIC PROCESS; NUMERICAL SIMULATIONS; OXIDATION REACTIONS; SI SUBSTRATES; SI(0 0 1); SILICON NANOSTRUCTURES; STRESS DEPENDENCES; THERMAL OXIDATIONS; TOTAL-ENERGY CALCULATIONS; TRANSITION-STATE STRUCTURES;

ACTIVATION ENERGY;

EID: 55149124934     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.47.7089     Document Type: Article

References (39)

1. Y. Takahashi, H. Namatsu, K. Kurihara, K. Iwadate, M. Nagase, and K. Murase: IEEE Trans. Electron Devices 43 (1996) 1213.
2. M. Nagase, A. Fujiwara, K. Yamasaki, Y. Takahashi, K. Murase, and K. Kurihara: Microelectron. Eng. 41-42 (1998) 527.
3. H. Heidemeyer, C. Single, F. Zhou, F. E. Prins, D. P. Kern, and E. Plies: J. Appl. Phys. 87 (2000) 4580.
4. H. Ohta, T. Watanabe, and I. Ohdomari: Jpn. J. Appl. Phys. 46 (2007) 3277.
5. P. Sutardja and W. G. Oldham: IEEE Trans. Electron Devices 36 (1989) 2415.
6. C. S. Rafferty: Ph. D. Thesis, Department of Electrical Engineering, Stanford University (1990).
7. M. Uematsu, H. Kageshima, K. Shiraishi, M. Nagase, S. Horiguchi, and Y. Takahashi: Solid-State Electron. 48 (2004) 1073.
8. B. E. Deal and A. S. Grove: J. Appl. Phys. 36 (1965) 3770.
9. H. Z. Massoud, J. D. Plummer, and E. A. Irene: J. Electrochem. Soc. 132 (1985) 1745.
10. T. Akiyama, H. Kageshima, M. Uematsu, and T. Ito: Jpn. J. Appl. Phys. 44 (2005) 7427.
11. T. Akiyama, K. Kawamoto, H. Kageshima, M. Uematsu, K. Nakamura, and T. Ito: Thin Solid Films 508 (2006) 311.
12. T. Akiyama, H. Kageshima, and T. Ito: Jpn. J. Appl. Phys. 43 (2004) 7903.
13. T. Akiyama and H. Kageshima: Surf. Sci. 576 (2005) L65.
14. A. Bongiorno and A. Pasquarello: Phys. Rev. Lett. 93 (2004) 86102.
15. L. Tsetseris and S. T. Pantelides: Phys. Rev. Lett. 97 (2006) 116101.
16. T. Akiyama, H. Kageshima, M. Uematsu, and T. Ito: Phys. Rev. B 77 (2008) 115356.
17. These experimental results imply that oxygen molecules are trapped in voidlike regions without dissolution enthalpy. See F. J. Norton: Nature 191 (1961) 701.
18. J. F. Shackelford: J. Non-Cryst. Solids 253 (1999) 231.
19. R. H. Dremus: Diffusion of Reactive Molecules in Solids and Melts (Wiley, New York, 2002).
20. H. Kageshima, M. Uematsu, T. Akiyama, and T. Ito: Jpn. J. Appl. Phys. 45 (2006) 7672.
21. H. Kageshima, M. Uematsu, T. Akiyama, and T. Ito: ECS Trans. 6 (2007) No. 3, 449.
22. J. P. Perdew, K. Burke, and M. Ernzerhof: Phys. Rev. Lett. 77 (1996) 3865.
23. N. Troullier and J. L. Martins: Phys. Rev. B 43 (1991) 1993.
24. D. Vanderbilt: Phys. Rev. B 41 (1990) 7892.
25. J. Yamauchi, M. Tsukada, S. Watanabe, and O. Sugino: Phys. Rev. B 54 (1996) 5586.
26. H. Kageshima and K. Shiraishi: Phys. Rev. B 56 (1997) 14985.
27. N. Ikarashi, K. Watanabe, and Y. Miyamoto: Phys. Rev. B 62 (2000) 15989.
28. N. Awaji, S. Ohkubo, T. Nakanishi, Y. Sugita, K. Takasaki, and S. Komiya: Jpn. J. Appl. Phys. 35 (1996) L67.
29. S. D. Kosowsky, P. S. Pershan, K. S. Krisch, J. Bevk, M. L. Green, D. Brasen, L. C. Feldman, and P. K. Roy: Appl. Phys. Lett. 70 (1997) 3119.
30. n = 5.8 GPa corresponds to the interface where the top surface atoms are fixed at the initial positions.
31. J. Mcskimin, P. Andreatch, and R. N. Thurston: J. Appl. Phys. 36 (1965) 1624.
32. S. Jeong and A. Oshiyama: Phys. Rev. Lett. 81 (1998) 5366.
33. M. Otani, K. Shiraishi, and A. Oshiyama: Phys. Rev. Lett. 90 (2003) 75901.
34. The pressure p is calculated using the Murnaghan equation of state, where the calculated bulk modulus and its pressure derivative in exquartz in refs. 11 and 12 are adopted.
35. H. Kageshima and K. Shiraishi: Phys. Rev. Lett. 81 (1998) 5936.
36. H. Kageshima, K. Shiraishi, and M. Uematsu: Jpn. J. Appl. Phys. 38 (1999) L971.
37. M. Uematsu, H. Kageshima, and K. Shiraishi: Jpn. J. Appl. Phys. 39 (2000) L699.
38. H. Kageshima, M. Uematsu, K. Akagi, S. Tsuneyuki, T. Akiyama, and K. Shiraishi: Jpn. J. Appl. Phys. 45 (2006) 694.
39. Y. Tu and J. Tersoff: Phys. Rev. Lett. 89 (2002) 086102.