Vacancy-Fluorine Clusters in Silicon

• Authors: A. Chroneos , R. Vovk , I. Goulatis , Z. Nazyrov , V. Pinto Simoes , M. Januszczyk , J. Latosińska
• Languages of publication: EN

Abstracts

EN

Fluorine (F) doping and the formation of F-vacancy (F_{n}V_{m}) clusters have been extensively studied in silicon (Si) as they can suppress the transient self-interstitial mediated diffusion of boron (B). Recent experimental studies by Bernardi et al. revealed that there is no significant concentration of F_{n}V_{m} clusters (for n ≥ 4, m ≥ 1) in disagreement with a number of density functional theory studies. In the present study we use electronic structure calculations to evaluate the binding energies of F_{n}V_{m} clusters and V_{n} clusters. The significant binding energies of the V _{n} clusters reveals that the concentration of the large F_{n}V_{m} clusters (n ≥4, m ≥1) will be limited compared to the V_{n} clusters or even smaller clusters.

Keywords

EN

31.15.es; 61.72.jd; 61.72.uf; 61.72.Yx

Discipline

• 31.15.es: Applications of density-functional theory (e.g., to electronic structure and stability; defect formation; dielectric properties, susceptibilities; viscoelastic coefficients; Rydberg transition frequencies)
• 61.72.jd: Vacancies
• 61.72.Yx: Interaction between different crystal defects; gettering effect(for magnetic impurity interactions, see 75.30.Hx)
• 61.72.uf: Ge and Si

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2011
• Volume: 119
• Issue: 6
• Pages: 774-777

Dates

published

2011-06

received

2010-10-21

(unknown)

2010-12-07

Contributors

author

A. Chroneos

• Department of Materials, Imperial College, London SW7 2AZ, United Kingdom

author

R. Vovk

• Kharkov National University, 4 Svoboda Sq., 61077 Kharkov, Ukraine

author

I. Goulatis

• Kharkov National University, 4 Svoboda Sq., 61077 Kharkov, Ukraine

author

Z. Nazyrov

• Kharkov National University, 4 Svoboda Sq., 61077 Kharkov, Ukraine

author

V. Pinto Simoes

• IPA _Instituto Superior Autónomo de Estudos Politécnicos, Rua de Xabregas, 20, 1° 1900-440 Lisboa, Portugal

author

M. Januszczyk

• Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland

author

J. Latosińska

• Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland

References

• 1. S.P. Jeng, T.P. Ma, R. Canteri, M. Anderle, G.W. Rubloff, Appl. Phys. Lett. 61, 1310 (1992)
• 2. X.D. Pi, C.P. Burrows, P.G. Coleman, Phys. Rev. Lett. 90, 155901 (2003)
• 3. P.J. Simpson, Z. Jenei, P. Asoka-Kumar, R.R. Robison, M.E. Law, Appl. Phys. Lett. 85, 1538 (2004)
• 4. N.E.B. Cowern, B. Colombeau, J. Benson, A.J. Smith, W. Lerch, S. Paul, T. Graf, F. Cristiano, X. Hebras, D. Bolze, Appl. Phys. Lett. 86, 101905 (2005)
• 5. F. Bernardi, J.H.R. dos Santos, M. Behar, Phys. Rev. B 76, 033201 (2007)
• 6. S. Boninelli, G. Impellizzeri, S. Mirabella, F. Priolo, E. Napolitani, N. Cherkashin, F. Cristiano, Appl. Phys. Lett. 93, 061906 (2008)
• 7. C.G. Van de Walle, F.R. McFeely, S.T. Pantelides, Phys. Rev. Lett. 61, 1867 (1988)
• 8. M. Diebel, S.T. Dunham, Phys. Rev. Lett. 93, 245901 (2004)
• 9. G.M. Lopez, V. Fiorentini, G. Impellizzeri, S. Mirabella, E. Napolitani, Phys. Rev. B 72, 045219 (2005)
• 10. V. Fiorentini, G.M. Lopez, Phys. Rev. Lett. 96, 039601 (2006)
• 11. G.M. Lopez, V. Fiorentini, Appl. Phys. Lett. 89, 092113 (2006)
• 12. S.A. Harrison, T.F. Edgar, G.S. Hwang, Phys. Rev. B 74, 121201 (2006)
• 13. D.J. Chadi, K.J. Chang, Phys. Rev. B 38, 1523 (1988)
• 14. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992)
• 15. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, M.C. Payne, J. Phys., Condens. Matter 14, 2717 (2002)
• 16. J. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
• 17. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990)
• 18. H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)
• 19. A. Chroneos, H. Bracht, R.W. Grimes, B.P. Uberuaga, Appl. Phys. Lett. 92, 172103 (2008)
• 20. H. Bracht, A. Chroneos, J. Appl. Phys. 104, 076108 (2008)
• 21. A. Chroneos, H. Bracht, C. Jiang, B.P. Uberuaga, R.W. Grimes, Phys. Rev. B 78, 195201 (2008)
• 22. R.J. Needs, J. Phys., Condens. Matter 11, 10437 (1999)
• 23. M.I.J. Probert, M.C. Payne, Phys. Rev. B 67, 075204 (2003)
• 24. A. Chroneos, C.A. Londos, J. Appl. Phys. 107, 093518 (2010)
• 25. A. Chroneos, J. Appl. Phys. 107, 076102 (2010)
• 26. J. Coutinho, R. Jones, P.R. Briddon, S. Öberg, Phys. Rev. B 62, 10824 (2000)
• 27. A. Chroneos, Phys. Status Solidi B 244, 3206 (2007)
• 28. A. Chroneos, C. Jiang, R.W. Grimes, U. Schwingenschlögl, H. Bracht, Appl. Phys. Lett. 94, 252104 (2009)
• 29. U. Schwingenschlögl, A. Chroneos, C. Schuster, R.W. Grimes, Appl. Phys. Lett. 96, 242107 (2010)
• 30. A. Chroneos, C. Jiang, R.W. Grimes, U. Schwingenschlögl, H. Bracht, Appl. Phys. Lett. 95, 112101 (2009)
• 31. A. Chroneos, H. Bracht, R.W. Grimes, B.P. Uberuaga, Mater. Sci. Eng. B 154, 72 (2008)
• 32. F.A. Kröger, V.J. Vink, in Solid State Physics, Eds. F. Seitz, D. Turnbull, Vol. 3, Academic Press, New York 1956, p. 307
• 33. A. Chroneos, R.W. Grimes, B.P. Uberuaga, S. Brotzmann, H. Bracht, Appl. Phys. Lett. 91, 192106 (2007)
• 34. A. Chroneos, R.W. Grimes, H. Bracht, B.P. Uberuaga, J. Appl. Phys. 104, 113724 (2008)
• 35. A. Chroneos, R.W. Grimes, B.P. Uberuaga, H. Bracht, Phys. Rev. B 77, 235208 (2008)
• 36. A. Chroneos, R.W. Grimes, H. Bracht, J. Appl. Phys. 105, 016102 (2009)
• 37. A. Chroneos, R.W. Grimes, H. Bracht, J. Appl. Phys. 106, 063707 (2009)

Identifiers

DOI

10.12693/APhysPolA.119.774