Issue
EPJ Photovolt.
Volume 8, 2017
Topical Issue: Theory and modelling
Article Number 85505
Number of page(s) 12
Section Theory and modelling
DOI https://doi.org/10.1051/epjpv/2017006
Published online 01 August 2017
  1. P.M. Fahey, P. Griffin, J. Plummer, Rev. Mod. Phys. 61, 289 (1989) [CrossRef] [Google Scholar]
  2. C. Persson, Y.J. Zhao, S. Lany, A. Zunger, Phys. Rev. B 72, 035211 (2005) [CrossRef] [Google Scholar]
  3. C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, C.G. Van de Walle, Rev. Mod. Phys. 86, 253 (2014) [CrossRef] [Google Scholar]
  4. S. Lany, A. Zunger, Phys. Rev. B 78, 235104 (2008) [CrossRef] [Google Scholar]
  5. A. Alkauskas, P. Deák, J. Neugebauer, A. Pasquarello, C.G. Van de Walle, Advanced Calculations for Defects in Materials: Electronic Structure Methods (John Wiley & Sons, 2011) [Google Scholar]
  6. A. Stoneham, Theory of Defects in Solids: Electronic Structure of Defects in Insulators and Semiconductors, Oxford classic texts in the physical sciences (Clarendon Press, 2001) [Google Scholar]
  7. G. Makov, M. Payne, Phys. Rev. B 51, 4014 (1995) [CrossRef] [Google Scholar]
  8. C. Varvenne, F. Bruneval, M.C. Marinica, E. Clouet, Phys. Rev. B 88, 134102 (2013) [CrossRef] [Google Scholar]
  9. F. Bruneval, C. Varvenne, J.P. Crocombette, E. Clouet, Phys. Rev. B 91, 024107 (2015) [CrossRef] [Google Scholar]
  10. H. Peng, D.O. Scanlon, V. Stevanovic, J. Vidal, G.W. Watson, S. Lany, Phys. Rev. B 88, 115201 (2013) [CrossRef] [Google Scholar]
  11. S. Lany, A. Zunger, Phys. Rev. Lett. 98, 045501 (2007) [CrossRef] [PubMed] [Google Scholar]
  12. A. Kolpak, S. Ismail-Beigi, Phys. Rev. B 83, 165318 (2011) [CrossRef] [Google Scholar]
  13. A. Satta, F. Willaime, S. de Gironcoli, Phys. Rev. B 57, 11184 (1998) [CrossRef] [Google Scholar]
  14. P. Erhart, K. Albe, A. Klein, Phys. Rev. B 73, 205203 (2006) [CrossRef] [Google Scholar]
  15. V. Kosyak, N.B. Mortazavi Amiri, A.V. Postnikov, M.A. Scarpulla, J. Appl. Phys. 114, 124501 (2013) [CrossRef] [Google Scholar]
  16. T. Zacherle, P.C. Schmidt, M. Martin, Phys. Rev. B 87, 235206 (2013) [CrossRef] [Google Scholar]
  17. A.J. Jackson, A. Walsh, Phys. Rev. B 88, 165201 (2013) [CrossRef] [Google Scholar]
  18. M. de Koning, C.R. Miranda, A. Antonelli, Phys. Rev. B 66, 104110 (2002) [CrossRef] [Google Scholar]
  19. Y. Mishin, M.R. Sorensen, A.F. Voter, Philos. Mag. A 81, 2591 (2001) [CrossRef] [Google Scholar]
  20. O.K. Al-Mushadani, R.J. Needs, Phys. Rev. B 68, 235205 (2003) [CrossRef] [Google Scholar]
  21. A. Sholihun, M. Saito, T. Ohno, T. Yamasaki, Jpn J. Appl. Phys. 54, 041301 (2015) [CrossRef] [Google Scholar]
  22. L. Shi, L.W. Wang, Phys. Rev. Lett. 109, 245501 (2012) [CrossRef] [PubMed] [Google Scholar]
  23. D. Maroudas, R.A. Brown, Phys. Rev. B 47, 15562 (1993) [CrossRef] [Google Scholar]
  24. S. Chiesa, P.M. Derlet, S.L. Dudarev, Phys. Rev. B 79, 214109 (2009) [CrossRef] [Google Scholar]
  25. S.J. Clark, G.J. Ackland, Phys. Rev. B 48, 10899 (1993) [CrossRef] [Google Scholar]
  26. P.J. Ungar, T. Halicioglu, W.A. Tiller, Phys. Rev. B 50, 7344 (1994) [CrossRef] [Google Scholar]
  27. B. Grabowski, T. Hickel, J. Neugebauer, Phys. Stat. Sol. (b) 248, 1295 (2011) [CrossRef] [Google Scholar]
  28. A. Glensk, B. Grabowski, T. Hickel, J. Neugebauer, Phys. Rev. X 4, 011018 (2014) [Google Scholar]
  29. F.H. Stillinger, T.A. Weber, Phys. Rev. B 31, 5262 (1985) [CrossRef] [Google Scholar]
  30. S.E. Taylor, F. Bruneval, Phys. Rev. B 84, 075155 (2011) [CrossRef] [Google Scholar]
  31. E. Rauls, T. Frauenheim, Phys. Rev. B 69, 155213 (2004) [CrossRef] [Google Scholar]
  32. S. Dannefaer, P. Mascher, D. Kerr, Phys. Rev. Lett. 56, 2195 (1986) [CrossRef] [PubMed] [Google Scholar]
  33. P.E. Blöchl, E. Smargiassi, R. Car, D.B. Laks, W. Andreoni, S.T. Pantelides, Phys. Rev. Lett. 70, 2435 (1993) [CrossRef] [PubMed] [Google Scholar]
  34. M. Lannoo, G. Allan, Phys. Rev. B 25, 4089 (1982) [CrossRef] [Google Scholar]
  35. M.J. Puska, S. Pöykkö, M. Pesola, R.M. Nieminen, Phys. Rev. B 58, 1318 (1998) [CrossRef] [Google Scholar]
  36. P. Śpiewak, K.J. Kurzydłowski, Phys. Rev. B 88, 195204 (2013) [CrossRef] [Google Scholar]
  37. A.F. Wright, Phys. Rev. B 74, 165116 (2006) [CrossRef] [Google Scholar]
  38. F. Corsetti, A.A. Mostofi, Phys. Rev. B 84, 035209 (2011) [CrossRef] [Google Scholar]
  39. W. Gao, A. Tkatchenko, Phys. Rev. Lett. 111, 045501 (2013) [CrossRef] [PubMed] [Google Scholar]
  40. G. Watkins, J. Troxell, A. Chatterjee, Defects and radiation effects in semiconductors, 1978 (1979) [Google Scholar]
  41. J.A. Van Vechten, C.D. Thurmond, Phys. Rev. B 14, 3539 (1976) [CrossRef] [Google Scholar]
  42. S. Baroni, S. de Gironcoli, A. Dal Corso, P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001) [CrossRef] [Google Scholar]
  43. G. Kresse, J. Furthmer, Phys. Rev. B 54, 11169 (1996) [NASA ADS] [CrossRef] [Google Scholar]
  44. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999) [NASA ADS] [CrossRef] [Google Scholar]
  45. D. Alfè, Computer Physics Communications 180, 2622 (2009) [CrossRef] [Google Scholar]
  46. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996) [NASA ADS] [CrossRef] [PubMed] [Google Scholar]
  47. Y. Okada, Y. Tokumaru, J. Appl. Phys. 56, 314 (1984) [CrossRef] [Google Scholar]
  48. M. Probert, M. Payne, Phys. Rev. B 67, 075204 (2003) [CrossRef] [Google Scholar]
  49. M. Ganchenkova, L. Oikkonen, V. Borodin, S. Nicolaysen, R. Nieminen, Materials Science and Engineering: B 107, 159160 (2009) [Google Scholar]
  50. G.A. Baraff, E.O. Kane, M. Schlüter, Phys. Rev. B 21, 5662 (1980) [CrossRef] [Google Scholar]
  51. G. Henkelman, B.P. Uberuaga, H. Jónsson, J. Chem. Phys. 113, 9901 (2000) [CrossRef] [Google Scholar]
  52. M.J. Puska, S. Pöykkö, M. Pesola, R.M. Nieminen, Phys. Rev. B 58, 1318 (1998) [CrossRef] [Google Scholar]
  53. J. Van Vechten, Phys. Rev. B 33, 8785 (1986) [CrossRef] [Google Scholar]
  54. U. Gerstmann, E. Rauls, H. Overhof, T. Frauenheim, Phys. Rev. B 65, 195201 (2002) [CrossRef] [Google Scholar]
  55. B. Fultz, Progress in Materials Science 55, 247 (2010) [CrossRef] [Google Scholar]
  56. D.S. Kim, H.L. Smith, J.L. Niedziela, C.W. Li, D.L. Abernathy, B. Fultz, Phys. Rev. B 91, 014307 (2015) [CrossRef] [Google Scholar]
  57. A. Debernardi, S. Baroni, E. Molinari, Phys. Rev. Lett. 75, 1819 (1995) [CrossRef] [PubMed] [Google Scholar]
  58. A. Debernardi, Phys. Rev. B 57, 12847 (1998) [CrossRef] [Google Scholar]
  59. K. Esfarjani, G. Chen, H.T. Stokes, Phys. Rev. B 84, 085204 (2011) [CrossRef] [Google Scholar]
  60. J. Fernandez, A. Monti, R. Pasianot, Phys. Stat. Sol. (b) 219, 245 (2000) [CrossRef] [Google Scholar]
  61. S.A. Centoni, B. Sadigh, G.H. Gilmer, T.J. Lenosky, T. Díaz de la Rubia, C.B. Musgrave, Phys. Rev. B 72, 195206 (2005) [CrossRef] [Google Scholar]
  62. F. Bruneval, J.P. Crocombette, Phys. Rev. B 86, 140103 (2012) [CrossRef] [Google Scholar]
  63. S. Wei, M.Y. Chou, Phys. Rev. B 50, 2221 (1994) [CrossRef] [Google Scholar]
  64. G. Ackland, M. Warren, S. Clark, J. Phys.: Condens. Matter 9, 7861 (1997) [CrossRef] [Google Scholar]
  65. B. Grabowski, L. Ismer, T. Hickel, J. Neugebauer, Phys. Rev. B 79, 134106 (2009) [CrossRef] [Google Scholar]
  66. F. Ercolessi, J.B. Adams, Europhys. Lett. 26, 583 (1994) [CrossRef] [Google Scholar]
  67. S. Hobday, R. Smith, J. Belbruno, Modelling and Simulation in Materials Science and Engineering 7, 397 (1999) [CrossRef] [EDP Sciences] [Google Scholar]
  68. S. Bukkapatnam, M. Malshe, P. Agrawal, L. Raff, R. Komanduri, Phys. Rev. B 74, 224102 (2006) [CrossRef] [Google Scholar]

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.