Coulomb repulsion and correlation strength in LaFeAsO from density functional and dynamical mean-field theories

Journal of Physics Condensed Matter

Volumn 21, Issue 7, 2009, Pages

  Anisimov, V I ^a   Korotin, Dm M ^a   Korotin, M A ^a   Kozhevnikov, A V ^a,b   Kunes J ^c,d   Shorikov, A O ^a   Skornyakov, S L ^a   Streltsov, S V ^a  

^a INSTITUTE OF METAL PHYSICS   (Russian Federation)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF AUGSBURG   (Germany)

^d INSTITUTE OF PHYSICS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; MAGNETIC THIN FILMS; MEAN FIELD THEORY;

3D ELECTRONS; BASIS SETS; CORRELATION STRENGTHS; COULOMB REPULSIONS; D ORBITALS; DENSITY FUNCTIONAL; DYNAMICAL MEAN-FIELD THEORIES; FIRST-PRINCIPLES; INTERACTION PARAMETERS; LOCAL DENSITIES; NEW HIGHS; NUMBER OF STATE; PARAMETER SETS; PARENT COMPOUNDS; PHOTOEMISSION SPECTRUM; SPECTRAL PROPERTIES; WANNIER FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 63749130121     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/7/075602     Document Type: Article

References (44)

1. Kamihara Y, Watanabe T, Hirano M and Hosono H 2008 J. Am. Chem. Soc. 130 3296
2. de la Cruz C, Huang Q, Lynn J W, Li J, Ratcliff W II, Zarestky J L, Mook H A, Chen G F, Luo J L, Wang N L and Dai P 2008 Nature 453 899
3. Dederichs P H, Blügel S, Zeller R and Akai H 1984 Phys. Rev. Lett. 53 2512
4. Gunnarsson O, Andersen O K, Jepsen O and Zaanen J 1989 Phys. Rev. B 39 1708
5. Anisimov V I and Gunnarsson O 1991 Phys. Rev. B 43 7570
6. Solovyev I V and Imada M 2005 Phys. Rev. B 71 045103
7. Aryasetiawan F, Karlsson K, Jepsen O and Schönberger U 2006 Phys. Rev. B 74 125106
8. Nakamura K, Arita R and Imada M 2008 J. Phys. Soc. Japan 77 093711
9. Haule K, Shim J H and Kotliar G 2008 Phys. Rev. Lett. 100 226402
10. Miyake T and Aryasetiawan F 2008 Phys. Rev. B 77 085122
11. Georges A, Kotliar G, Krauth W and Rozenberg M 1996 Rev. Mod. Phys. 68 13
12. Craco L, Laad M S, Leoni S and Rosner H 2008 arXiv:0805.3636
13. Shorikov A O, Korotin M A, Streltsov S V, Korotin D M and Anisimov V I 2008 arXiv:0804.3283
14. Shorikov A O, Korotin M A, Streltsov S V, Korotin D M and Anisimov V I 2008 JETP 107 N6 649
15. Kurmaev E Z, Wilks R, Moewes A, Skorikov N A, Izyumov YuA, Finkelstein L D, Li R H and Chen X H 2008 arXiv:0805.0668
16. Kroll T et al 2008 arXiv:0806.2625
17. Malaeb W et al 2008 J. Phys. Soc. Japan 77 093714
18. Hybertsen M S, Schlüter M and Christensen N E 1989 Phys. Rev. B 39 9028
19. Hybertsen M S, Stechel E B, Schluter M and Jennison D R 1990 Phys. Rev. B 41 11068
20. McMahan A K, Annett J F and Martin R M 1990 Phys. Rev. B 42 6268
21. Eskes H and Sawatzky G A 1991 Phys. Rev. B 44 9656
22. Maier Th, Jarrell M, Pruschke Th and Keller J 2000 Phys. Rev. Lett. 85 1524
23. Macridin A, Jarrell M, Maier Th and Sawatzky G A 2005 Phys. Rev. B 71 134527
24. Yin W G and Ku W 2008 J. Phys.: Conf. Ser. 108 012032
25. Bocquet A E, Mizokawa T, Morikawa K, Fujimori A, Barman S R, Maiti K, Sarma D D, Tokura Y and Onoda M 1996 Phys. Rev. B 53 1161
26. Nekrasov I A, Keller G, Kondakov D E, Kozhevnikov A V, Pruschke Th, Held K, Vollhardt D and Anisimov V I 2005 Phys. Rev. B 72 155106
27. Solovyev I, Hamada N and Terakura K 1996 Phys. Rev. B 53 7158
28. Andersen O K 1975 Phys. Rev. B 12 3060
29. Gunnarsson O, Jepsen O and Andersen O K 1983 Phys. Rev. B 27 7144
30. Baroni S, de Gironcoli S, Corso A D and Giannozzi P http://www.pwscf.org
31. Wannier G H 1937 Phys. Rev. 52 191
32. Marzari N and Vanderbilt D 1997 Phys. Rev. B 56 12847
33. Ku W, Rosner H, Pickett W E and Scalettar R T 2002 Phys. Rev. Lett. 89 167204
34. Anisimov V I et al 2005 Phys. Rev. B 71 125119
35. Korotin Dm, Kozhevnikov A V, Skornyakov S L, Leonov I, Binggeli N, Anisimov V I and Trimarchi G 2008 Eur. Phys. J. B 65 91
36. Anisimov V I, Poteryaev A I, Korotin M A, Anokhin A O and Kotliar G 1997 J. Phys.: Condens. Matter 9 7359
37. Lichtenstein A I and Katsnelson M I 1998 Phys. Rev. B 57 6884
38. Held K, Nekrasov I A, Keller G, Eyert V, Blümer N, McMahan A K, Scalettar R T, Pruschke Th, Anisimov VI and Vollhardt D 2006 Phys. Status Solidi b 243 2599
39. Hirsch J E and Fye R M 1986 Phys. Rev. Lett. 56 2521
40. Liebsch A and Costi T A 2006 Eur. Phys. J. B 51 523
41. Pruschke Th and Bulla R 2005 Eur. Phys. J. B 44 217
42. Vidberg H J and Serene J E 1977 J. Low Temp. Phys. 29 179
43. Coldea A I et al 2008 arXiv:0807.4890v2
44. Koitzsch A et al 2008 arXiv:0806.0833