Palladium-defect complexes in diamond and silicon carbide

详细信息    查看全文

• 作者：A. A. Abiona (1)
  W. Kemp (1)
  H. Timmers (1)
  K. Bharuth-Ram (2)
  
  1. School of Physical ; Environmental and Mathematical Sciences ; University of New South Wales ; Canberra ; PO Box 7916 ; Canberra ; BC ; 2610 ; Australia
  2. Physics Department ; Durban University of Technology ; Durban ; 4000 ; South Africa
  
• 关键词：Semiconductor defects ; Diamond ; Silicon carbide ; Perturbed angular correlation ; Density functional theory ; 71.15. ; m ; 61.72. ; y ; 71.55. ; i ; 76.80.+y
• 刊名：Hyperfine Interactions
• 出版年：2015
• 出版时间：April 2015
• 年：2015
• 卷：230
• 期：1-3
• 页码：115-122
• 全文大小：627 KB
• 参考文献：1. Schulz, M (1999) Nature (London) 399: pp. 729 CrossRef
  2. Waldner, J.-B.: Nanocomputers and swarm intelligence. London: ISTE. pp. 44鈥?5. ISBN 978-1-84821-009-7 (2008)
  3. Keyes, RW (2005) Rep. Prog. Phys. 68: pp. 2701 CrossRef
  4. Buniatyan, VV, Aroutiounian, VM (2007) J. Phys. D 40: pp. 6355 CrossRef
  5. Willander, M., et al.: J. Mat. Sci.: Mat. Elect. 17 (2006). 4 Y. Gurbuz, O. Esame, I. Tekin
  6. In: Takahashi, K., Yoshikawa, A., Sandhu, A. (eds.): Wide Bandgap Semiconductors: Fundamental Properties and Modern Photonic and Electronic Devices. Springer, Berlin (2007)
  7. Dutt, MVG (2007) Science 316: pp. 1312 CrossRef
  8. Khajetoorians, AA (2010) Nature (London) 467: pp. 1084 CrossRef
  9. Hudgins, JL (2003) IEEE Trans. Power Electr. 18: pp. 907 CrossRef
  10. Wort, CJH, Balmer, RS (2008) Mater. Today 11: pp. 22 CrossRef
  11. In: Ricardo, S.S. (ed.) : CVD Diamond for Electronic Devices and Sensors. Wiley (2009). L td. ISBN: 978-0-470-06532-7
  J Mater Sci.: Mater Electron 17: pp. 1
  12. Schneider, J, Maier, K (1993) Phys. B 185: pp. 199 CrossRef
  13. Kunzer, M, M眉ller, HD, Kaufmann, U (1993) Phys. Rev. B 48: pp. 10846 CrossRef
  14. Dalibor, T (1997) Phys. Rev. B 55: pp. 13618 CrossRef
  15. Meng, Z (2006) J. Disp. Techn. 2: pp. 265 CrossRef
  16. Phung, TH, Zhu, C (2010) J. Electrochem. Soc. 157: pp. H755-H758 CrossRef
  17. Park, J-H (2007) Appl. Phys. Lett. 91: pp. 143107鈥?43107-3
  18. Brett, DA (2005) Phys. Rev. B 72: pp. 193202 CrossRef
  Hyperfine Interact. 177: pp. 33-37 CrossRef
  19. Dogra, R (2006) Phys. B 376: pp. 245 CrossRef
  20. Timmers, H (2010) Hyperfine Interact. 197: pp. 159-165 CrossRef
  21. Abiona, AA, Kemp, W, Timmers, H (2013) Hyperfine Interact. 221: pp. 65-72 CrossRef
  22. Abiona, AA, Kemp, W, Timmers, H (2014) AIP Conf. Proc. 1583: pp. 105 CrossRef
  23. Bezakova, E.: Ph.D. thesis, Australian National University, Canberra (1998)
  24. Haas, H., Carbonari, A., Blaha, P.: Annual Report No. HMI-B 526, 24 (1994)
  25. Giannozzi, P (2009) J. Phys.: Condens. Matter. 21: pp. 395502
  26. Pickard, CJ, Mauri, F (2001) Phys. Rev. B 245101: pp. 63
  27. Perdew, JP, Wang, Y (1992) Phys. Rev. B 45: pp. 13244-13249 CrossRef
  28. Monkhorst, HJ, Pack, JD (1976) Phys. Rev. B 13: pp. 5188-5192 CrossRef
  29. Haas, P, Tran, F, Blaha, P (2009) Phys. Rev. B 79: pp. 085104 CrossRef
  30. Wichert, Th, Swanson, ML (1989) J. Appl. Phys. 66: pp. 7 CrossRef
  31. Shim, J, Lee, E-K (2005) Phys. Rev. B 71: pp. 035206 CrossRef
  32. Zywietz, A, Furthm眉ller, J, Bechstedt, F (1999) Phys. Rev. B 59: pp. 1516 CrossRef
  33. Chroneos, A, Grimes, RW, Tsamis, C (2007) J Mater Sci.: Mater Electron 18: pp. 763-768
  34. Chroneos, A (2011) Acta Phys. Polon. A 119: pp. 774
  35. Abiona, A.A., Kemp, W., Timmers, H.: arXiv preprint arXiv:1409.2705
  36. Ziegler, J.F., Biersack, J.P., Ziegler, M.D.: SRIM, the Stopping and Range of Ions in Matter, SRIM Company (2008), http://www.srim.org/
  37. Abiona, A.A., Kemp, W., Williams, E., Timmers, H.: Heavy Ion Accelerator Symposium on Fundamental and Applied Science 2012, Canberra, Australia, EPJ Web of Conference, vol. 35 (2012)
  
• 刊物类别：Physics and Astronomy
• 刊物主题：Physics
  Nuclear Physics, Heavy Ions and Hadrons
  Atoms, Molecules, Clusters and Plasmas
  Condensed Matter
  Surfaces and Interfaces and Thin Films
  
• 出版者：Springer Netherlands
• ISSN：1572-9540

文摘

Time Differential Perturbed Angular Correlations (TDPAC) studies, supported by Density Functional Theory (DFT) modelling, have shown that palladium atoms in silicon and germanium pair with vacancies. Building on these results, here we present DFT predictions and some tentative TDPAC results on palladium-defect complexes and site locations of palladium impurities in diamond and silicon carbide. For both diamond and silicon carbide, the DFT calculations predict that a split-vacancy V-PdBI-V complex is favoured, with the palladium atom on a bond-centred interstitial site having a nearest-neighbour semi-vacancy on either side. Consistent with experimental results, this configuration is also assigned to palladium complexes in silicon and germanium. For silicon carbide, the DFT modelling predicts furthermore that a palladium atom in replacing a carbon atom moves to a bond-centred interstitial site and pairs with a silicon vacancy to form a complex that is more stable than that of a palladium atom which replaces a silicon atom and then moves to a bond-centred interstitial site pairings with a carbon vacancy. These two competing alternatives differ by 8.94 eV. The favourable pairing with a silicon vacancy is also supported independently by TRIM Monte Carlo calculations, which predict that more silicon vacancies than carbon vacancies are created during heavy ion. implantation.