Core-hole effect in the one-particle approximation revisited from density functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 23, 2009, Pages

  Mauchamp, Vincent ^a   Jaouen, Michel ^a   Schattschneider, Peter ^b  

^a Centre National de la Recherche Scientifique   (France)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 67649989360     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.235106     Document Type: Article

References (67)

1. R. Egerton, Electron Energy-Loss Spectroscopy in the Electron Microscope (Plenum, New York, 1996).
2. J. J. Rehr and R. C. Albers, Rev. Mod. Phys. 72, 621 (2000). 10.1103/RevModPhys.72.621
3. C. Hébert, Micron 38, 12 (2007). 10.1016/j.micron.2006.03.010
4. M. S. Moreno, K. Jorissen, and J. J. Rehr, Micron 38, 1 (2007). 10.1016/j.micron.2006.03.011
5. D. Cabaret, F. Mauri, and G. S. Henderson, Phys. Rev. B 75, 184205 (2007). 10.1103/PhysRevB.75.184205
6. J. T. Titantah and D. Lamoen, Phys. Rev. B 70, 075115 (2004). 10.1103/PhysRevB.70.075115
7. V. Mauchamp, T. Epicier, and J.-C. Le Bossé, Phys. Rev. B 77, 235122 (2008). 10.1103/PhysRevB.77.235122
8. D. S. Su, C. Hébert, M. Willinger, and R. Schlögl, Micron 34, 227 (2003). 10.1016/S0968-4328(03)00031-3
9. L. Calmels, C. Mirguet, and Y. Kihn, Phys. Rev. B 73, 024207 (2006). 10.1103/PhysRevB.73.024207
10. F. Pailloux, M. Jublot, R. J. Gaboriaud, M. Jaouen, F. Paumier, and D. Imhoff, Phys. Rev. B 72, 125425 (2005). 10.1103/PhysRevB.72.125425
11. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989). 10.1103/RevModPhys.61.689
12. H. Kohl and H. Rose, Adv. Electron. Electron Phys. 65, 173 (1985). 10.1016/S0065-2539(08)60878-1
13. B. L. Moiseiwitsch and S. J. Smith, Rev. Mod. Phys. 40, 238 (1968). 10.1103/RevModPhys.40.238
14. S. Doniach, P. M. Platzman, and J. T. Yue, Phys. Rev. B 4, 3345 (1971). 10.1103/PhysRevB.4.3345
15. J. A. Soininen, A. L. Ankudinov, and J. J. Rehr, Phys. Rev. B 72, 045136 (2005). 10.1103/PhysRevB.72.045136
16. D. K. Saldin and J. M. Yao, Phys. Rev. B 41, 52 (1990). 10.1103/PhysRevB.41.52
17. A. L. Ankudinov, B. Ravel, J. J. Rehr, and S. D. Conradson, Phys. Rev. B 58, 7565 (1998). 10.1103/PhysRevB.58.7565
18. D. S. Su, H. W. Zandbergen, P. C. Tiemeijer, G. Kothleitner, M. Hävecker, C. Hébert, A. Knop-Gericke, B. H. Freitag, F. Hofer, and R. Schlögl, Micron 34, 235 (2003). 10.1016/S0968-4328(03)00033-7
19. Y. Zhu, A. R. Moodenbaugh, G. Schneider, J. W. Davenport, T. Vogt, Q. Li, G. Gu, D. A. Fischer, and J. Tafto, Phys. Rev. Lett. 88, 247002 (2002). 10.1103/PhysRevLett.88.247002
20. S. Nufer, A. G. Marinopoulos, T. Gemming, C. Elsässer, W. Kurtz, S. Köstlmeier, and M. Rühle, Phys. Rev. Lett. 86, 5066 (2001). 10.1103/PhysRevLett.86.5066
21. J. A. Soininen and E. L. Shirley, Phys. Rev. B 64, 165112 (2001). 10.1103/PhysRevB.64.165112
22. A. L. Ankudinov, Y. Takimoto, and J. J. Rehr, Phys. Rev. B 71, 165110 (2005). 10.1103/PhysRevB.71.165110
23. I. Tanaka, H. Araki, M. Yoshiya, T. Mizoguchi, K. Ogasawara, and H. Adachi, Phys. Rev. B 60, 4944 (1999). 10.1103/PhysRevB.60.4944
24. P. Moreau, F. Boucher, G. Goglio, D. Foy, V. Mauchamp, and G. Ouvrard, Phys. Rev. B 73, 195111 (2006). 10.1103/PhysRevB.73.195111
25. M. Jaouen, G. Hug, B. Ravel, A. L. Ankudinov, and J. J. Rehr, Europhys. Lett. 49, 343 (2000). 10.1209/epl/i2000-00154-7
26. N. Jiang and J. C. H. Spence, Phys. Rev. B 69, 115112 (2004). 10.1103/PhysRevB.69.115112
27. G. Duscher, R. Buczko, S. J. Pennycook, and S. T. Pantelides, Ultramicroscopy 86, 355 (2001). 10.1016/S0304-3991(00)00126-1
28. Z. Y. Wu, G. Ouvrard, P. Gressier, and C. R. Natoli, Phys. Rev. B 55, 10382 (1997). 10.1103/PhysRevB.55.10382
29. L. V. Dobysheva, P. L. Potapov, and D. Schryvers, Phys. Rev. B 69, 184404 (2004). 10.1103/PhysRevB.69.184404
30. V. Mauchamp, F. Boucher, G. Ouvrard, and P. Moreau, Phys. Rev. B 74, 115106 (2006). 10.1103/PhysRevB.74.115106
31. E. Tamura, J. van Ek, M. Fröba, and J. Wong, Phys. Rev. Lett. 74, 4899 (1995). 10.1103/PhysRevLett.74.4899
32. J. Luitz, M. Maier, C. Hébert, P. Schattschneider, P. Blaha, K. Schwarz, and B. Jouffrey, Eur. Phys. J. B 21, 363 (2001). 10.1007/s100510170179
33. S.-P. Gao, C. J. Pickard, M. C. Payne, J. Zhu, and J. Yuan, Phys. Rev. B 77, 115122 (2008). 10.1103/PhysRevB.77.115122
34. A. J. Scott, R. Brydson, M. MacKenzie, and A. J. Craven, Phys. Rev. B 63, 245105 (2001). 10.1103/PhysRevB.63.245105
35. T. Mizoguchi, I. Tanaka, M. Yoshiya, F. Oba, K. Ogasawara, and H. Adachi, Phys. Rev. B 61, 2180 (2000). 10.1103/PhysRevB.61.2180
36. S.-D. Mo and W. Y. Ching, Phys. Rev. B 62, 7901 (2000). 10.1103/PhysRevB.62.7901
37. C. Hébert, J. Luitz, and P. Schattschneider, Micron 34, 219 (2003). 10.1016/S0968-4328(03)00030-1
38. F. M. F. de Groot, M. Grioni, J. C. Fuggle, J. Ghijsen, G. A. Sawatzky, and H. Petersen, Phys. Rev. B 40, 5715 (1989). 10.1103/PhysRevB.40.5715
39. C. Elsässer and S. Köstlmeier, Ultramicroscopy 86, 325 (2001). 10.1016/S0304-3991(00)00123-6
40. K. van Benthem, C. Elsässer, and M. Rühle, Ultramicroscopy 96, 509 (2003). 10.1016/S0304-3991(03)00112-8
41. P. Blaha, K. Schwarz, G. Madsen, D. Kvaniscka, and J. Luitz, in WIEN2k, An Augmented Plane Wave Plus Local Orbital Program for Calculating Crystal Properties, edited by, K. Schwarz, (Technical Universität Wien, Austria, 2001).
42. G. K. H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, and L. Nordström, Phys. Rev. B 64, 195134 (2001). 10.1103/PhysRevB.64.195134
43. E. Sjöstedt, L. Nordström, and D. J. Singh, Solid State Commun. 114, 15 (2000). 10.1016/S0038-1098(99)00577-3
44. J. Desclaux, Comput. Phys. Commun. 1, 216 (1970). 10.1016/0010-4655(70) 90008-1
45. J. Desclaux, Comput. Phys. Commun. 9, 31 (1975). 10.1016/0010-4655(75) 90054-5
46. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
47. J. Korringa, Physica 13, 392 (1947). 10.1016/0031-8914(47)90013-X
48. W. Kohn and N. Rostoker, Phys. Rev. 94, 1111 (1954). 10.1103/PhysRev.94. 1111
49. J. J. Kas, A. P. Sorini, M. P. Prange, L. W. Cambell, J. A. Soininen, and J. J. Rehr, Phys. Rev. B 76, 195116 (2007). 10.1103/PhysRevB.76.195116
50. L. Hedin and S. Lundquist, in Solid State Physics, edited by, F. Seitz, D. Turnbull, and, H. Ehrenreic, (Academic, New York, 1969), Vol. 23, p. 1.
51. http://leonardo.phys.washington.edu/feff/
52. L. Campbell, L. Hedin, J. J. Rehr, and W. Bardyszewski, Phys. Rev. B 65, 064107 (2002). 10.1103/PhysRevB.65.064107
53. P. J. W. Weijs, M. T. Czyyk, J. F. van Acker, W. Speier, J. B. Goedkoop, H. van Leuken, H. J. M. Hendrix, R. A. de Groot, G. van der Laan, K. H. J. Buschow, G. Wiech, and J. C. Fuggle, Phys. Rev. B 41, 11899 (1990). 10.1103/PhysRevB.41.11899
54. J. Yuan, J. Electron Spectrosc. Relat. Phenom. 122, 275 (2002). 10.1016/S0368-2048(01)00365-6
55. C. Heiliger, F. Heyroth, F. Syrowatka, H. S. Leipner, I. Maznichenko, K. Kokko, W. Hergert, and I. Mertig, Phys. Rev. B 73, 045129 (2006). 10.1103/PhysRevB.73.045129
56. C. Cohen-Tannoudji, B. Diu, and F. Laloë, Quantum Mechanics II (Hermann, Paris, 1973).
57. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Brooks-Cole, Belmont, MA, 1976).
58. Y. Joly, D. Cabaret, H. Renevier, and C. R. Natoli, Phys. Rev. Lett. 82, 2398 (1999). 10.1103/PhysRevLett.82.2398
59. P. Schattschneider, Ultramicroscopy 28, 1 (1989). 10.1016/0304-3991(89) 90262-3
60. C. Ambrosch-Draxl and J. O. Sofo, Comput. Phys. Commun. 175, 1 (2006). 10.1016/j.cpc.2006.03.005
61. C. Lee and X. Gonze, Phys. Rev. B 49, 14730 (1994). 10.1103/PhysRevB.49. 14730
62. J. C. Slater, Phys. Rev. 36, 57 (1930). 10.1103/PhysRev.36.57
63. S. Nufer, T. Gemming, C. Elsässer, S. Köstlmeier, and M. Rühle, Ultramicroscopy 86, 339 (2001). 10.1016/S0304-3991(00)00124-8
64. E. Orhan, F. M. Pontes, C. D. Pinheiro, T. M. Boschi, E. R. Leite, P. S. Pizani, A. Beltrán, J. Andrés, J. A. Varela, and E. Longo, J. Solid State Chem. 177, 3879 (2004). 10.1016/j.jssc.2004.07.043
65. A. I. Nesvizhskii and J. J. Rehr, J. Synchrotron Radiat. 6, 315 (1999). 10.1107/S0909049599001697
66. J. Schwitalla and H. Ebert, Phys. Rev. Lett. 80, 4586 (1998). 10.1103/PhysRevLett.80.4586
67. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002). 10.1103/RevModPhys.74.601