Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 24, 2011, Pages

  Fehr, M ^a   Schnegg, A ^a   Rech, B ^a   Lips, K ^a   Astakhov, O ^b   Finger, F ^b   Pfanner, G ^c   Freysoldt, C ^c   Neugebauer, J ^c   Bittl, R ^d   Teutloff, C ^d  

^a HAHN MEITNER INSTITUT   (Germany)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

^c MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

^d FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84855459784     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.245203     Document Type: Article

References (42)

1. M. Stutzmann and D. K. Biegelsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.9834 40, 9834 (1989).
2. M. Stutzmann, Philos. Mag. B 1364-2812 10.1080/13642818908205926 60, 531 (1989).
3. H. Dersch, J. Stuke, and J. Beichler, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.92402 38, 456 (1981).
4. D. L. Staebler and C. R. Wronski, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.89674 31, 292 (1977).
5. D. L. Staebler and C. R. Wronski, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.328084 51, 3262 (1980). (Pubitemid 11441235)
6. H. Fritzsche, Annu. Rev. Mater. Res. ARMRCU 1531-7331 10.1146/annurev.matsci.31.1.47 31, 47 (2001). (Pubitemid 33080522)
7. M. Zeman, G. Van Elzakker, F. D. Tichelaar, and P. Sutta, Philos. Mag. ARMRCU 1478-6435 10.1080/14786430902960137 89, 2435 (2009).
8. M. Fehr, A. Schnegg, B. Rech, K. Lips, F. Finger, O. Astakhov, C. Teutloff, and R. Bittl, Phys. Status Solidi A PSSABA 0031-8965 10.1002/pssa.200982876 207, 552 (2010).
9. Throughout the text, the term spin density denotes the spin distribution over the atomic orbitals, whereas defect density denominates the concentration of paramagnetic defects in the material.
10. E. H. Poindexter, P. J. Caplan, B. E. Deal, and R. R. Razouk, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.328771 52, 879 (1981). (Pubitemid 11502276)
11. M. Cook and C. T. White, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.38.9674 38, 9674 (1988).
12. T. Umeda, S. Yamasaki, J. Isoya, and K. Tanaka, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.4849 59, 4849 (1999).
13. G. D. Watkins and J. W. Corbett, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.134.A1359 134, A1359 (1964).
14. D. K. Biegelsen and M. Stutzmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.33.3006 33, 3006 (1986).
15. K. L. Brower, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.94244 43, 1111 (1983).
16. W. E. Carlos, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.97798 50, 1450 (1987).
17. C. J. Pickard and F. Mauri, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.086403 88, 086403 (2002).
18. U. Gerstmann, M. Rohrmüller, F. Mauri, and W. G. Schmidt, Phys. Status Solidi C PRLTAO 1610-1634 10.1002/pssc.200982462 7, 157 (2010).
19. O. Astakhov, R. Carius, F. Finger, Y. Petrusenko, V. Borysenko, and D. Barankov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.104205 79, 104205 (2009).
20. Y. Wu and A. Stesmans, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.38. 2779 38, 2779 (1988).
21. P. Biswas, D. N. Tafen, F. Inam, B. Cai, and D. A. Drabold, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/8/084207 21, 084207 (2009).
22. K. Jarolimek, R. A. de Groot, G. A. de Wijs, and M. Zeman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.155206 79, 155206 (2009).
23. L. Xiao, O. Astakhov, and F. Finger, Jpn. J. Appl. Phys. 0021-4922 10.1143/JJAP.50.071301 50, 071301 (2011).
24. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. De Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
25. C. G. van de Walle and P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.4244 47, 4244 (1993).
26. M. S. Brandt, M. W. Bayerl, M. Stutzmann, and C. F. O. Graeff, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/S0022-3093(98)00073-8 227-230, 343 (1998).
27. N. M. Atherton, Principles of Electron Spin Resonance (Ellis Horwood: PTR Prentice Hall, New York, 1993).
28. J. A. Weil, Mol. Phys. Rep. 26, 11 (1999).
29. J. H. van Vleck, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.74.1168 74, 1168 (1948).
30. C. Kittel and E. Abrahams, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.90.238 90, 238 (1953).
31. S. J. Wyard, Proc. Phys. Soc. London PPSOAU 0370-1328 10.1088/0370-1328/86/3/317 86, 587 (1965).
32. M. Stutzmann and D. K. Biegelsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.28.6256 28, 6256 (1983).
33. S. Stoll and A. Schweiger, J. Magn. Reson. JMARF3 1090-7807 10.1016/j.jmr.2005.08.013 178, 42 (2006). (Pubitemid 41774010)
34. T. F. Coleman and Y. Li, SIAM J. Optim. JMARF3 1052-6234 10.1137/0806023 6, 418 (1996).
35. T. F. Coleman and Y. Li, Math. Program. JMARF3 0025-5610 10.1007/BF01582221 67, 189 (1994).
36. G. A. F. Seber and C. J. Wild, Nonlinear Regression (Wiley, New York, 1989).
37. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.84.245203 for details on DFT calculations of computer-generated DB models.
38. A. J. Stone, Proc. R. Soc. London A JMARF3 1364-5021 10.1098/rspa.1963. 0027 271, 424 (1963).
39. P. A. Fedders and A. E. Carlsson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.37.8506 37, 8506 (1988).
40. R. Biswas, C. Z. Wang, C. T. Chan, K. M. Ho, and C. M. Soukoulis, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.63.1491 63, 1491 (1989).
41. P. A. Fedders and A. E. Carlsson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.39.1134 39, 1134 (1989).
42. N. Ishii and T. Shimizu, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.42.9697 42, 9697 (1990).