Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

Journal of Physics Condensed Matter

Volumn 21, Issue 10, 2009, Pages

  Olovsson, W ^a   Tanaka, I ^a,b   Puschnig, P ^c   Ambrosch Draxl, C ^c  

^a KYOTO UNIVERSITY   (Japan)

^b JAPAN FINE CERAMICS CENTER   (Japan)

^c UNIVERSITY OF LEOBEN   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

BETHE-SALPETER EQUATIONS; BOUND EXCITATIONS; DENSITY-FUNCTIONAL THEORIES; ELECTRON-HOLE PAIRS; EQUATION OF MOTIONS; FIRST PRINCIPLES; FP-LAPW; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHODS; NEAR-EDGE STRUCTURES; RANDOM PHASE APPROXIMATIONS; SUPERCELL CALCULATIONS; WAVE-FUNCTIONS; X RAY ABSORPTION NEAR-EDGE STRUCTURES;

ABSORPTION; BINDING ENERGY; CARBON NANOTUBES; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; GREEN'S FUNCTION;

EQUATIONS OF MOTION;

EID: 65449128091     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/10/104205     Document Type: Article

References (49)

1. Tanaka I and Mizoguchi T 2009 J. Phys.: Condens. Matter 21 104201
2. Tanaka I, Mizoguchi T and Yamamoto T 2005 J. Am. Ceram. Soc. 88 2013
3. Sham L J and Rice T M 1966 Phys. Rev. 144 708
4. Hanke W and Sham L J 1975 Phys. Rev. B 12 4501
5. Hanke W and Sham L J 1979 Phys. Rev. Lett. 43 387
6. Hanke W and Sham L J 1980 Phys. Rev. B 21 4656
7. Strinati G 1982 Phys. Rev. Lett. 49 1519
8. Strinati G 1984 Phys. Rev. B 29 5718
9. Andersen O K 1975 Phys. Rev. B 12 3060
10. Blaha P, Schwartz K, Madsen G, Kvasnicka D and Luitz J 2001 WIEN2k An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties ed K Schwartz (Vienna: Technische Universität Wien)
11. Puschnig P and Ambrosch-Draxl C 2002 Phys. Rev. B 66 165105
12. Olovsson W, Tanaka I, Mizoguchi T, Puschnig P and Ambrosch-Draxl C 2009 Phys. Rev. B 79 041102
13. Shirley E L 1998 Phys. Rev. Lett. 80 794
14. Shirley E L 2004 J. Electron Spectrosc. Relat. Phenom. 137 579
15. Soininen J A and Shirley E L 2001 Phys. Rev. B 64 165112
16. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
17. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
18. Rehr J J, Soininen J A and Shirley E L 2005 Phys. Scr. T 115 207
19. Haensel R, Kunz C and Sonntag B 1968 Phys. Rev. Lett. 20 262
20. Brown F C, Gähwiller C, Kunz A B and Lipari N O 1970 Phys. Rev. Lett. 25 927
21. Kunz A B, Mickish D J and Collins T C 1973 Phys. Rev. Lett. 31 756
22. Sonntag B F 1974 Phys. Rev. B 9 3601
23. Gudat W, Kunz C and Petersen H 1974 Phys. Rev. Lett. 32 1370
24. Pantelides S T and Brown F C 1974 Phys. Rev. Lett. 33 298
25. Pantelides S T 1975 Phys. Rev. B 11 239
26. Fields J R, Gibbons P C and Schnatterly S E 1977 Phys. Rev. Lett. 38 430
27. Stott J P, Hilbert S L, Brown F C, Bunker B, Chiang T C, Miller T and Tan K H 1984 Phys. Rev. B 30 2163
28. Brydson R, Bruley J and Thomas J 1988 Chem. Phys. Lett. 149 343
29. Miyano K E, Ederer D L, Callcott T A, Dong Q Y, Jia J J, Zhou L and Mueller D R 1994 Phys. Rev. B 49 5929
30. Soininen J A, Hämäläinen K, Caliebe W A, Kao C-C and Shirley E L 2001 J. Phys.: Condens. Matter 13 8039
31. Tsuji J, Kojima K, Ikeda S, Nakamatsu H, Mukoyama T and Taniguchi K 2001 J. Synchrotron Radiat. 8 554
32. Tsuji J, Nakamatsu H, Mukoyama T, Kojima K, Ikeda S and Taniguchi K 2002 X-Ray Spectrom. 31 319
33. Handa K, Kojima K, Ozutsumi K, Taniguchi K and Ikeda S 2005 Memoires Sr. Center Ritsumeikan Univ. 7 3
34. Albrecht S, Onida G and Reining L 1997 Phys. Rev. B 55 10278
35. Jiang N and Spence J C H 2004 Phys. Rev. B 69 115112
36. Mauchamp V, Boucher F, Ouvrard G and Moreau P 2006 Phys. Rev. B 74 115106
37. Mauchamp V, Moreau P, Ouvrard G and Boucher F 2008 Phys. Rev. B 77 045117
38. Onida G, Reining L and Rubio A 2002 Rev. Mod. Phys. 74 601
39. Puschnig P 2002 Excitonic effects in organic semi-conductors PhD Thesis (Aachen: Shaker) Karl-Franzens-Universität Graz
40. Albrecht S, Reining L, Del Sole R and Onida G 1998 Phys. Rev. Lett. 80 4510
41. Benedict L X, Shirley E L and Bohn R B 1998 Phys. Rev. Lett. 80 4514
42. Rohlfing M and Louie S G 1998 Phys. Rev. Lett. 81 2312
43. Rohlfing M and Louie S G 2000 Phys. Rev. B 62 4927
44. Arnaud B and Alouani M 2001 Phys. Rev. B 63 085208
45. Singh D J and Nordström L 2006 Planewaves, Pseudopotentials and the LAPW Method 2nd edn (Berlin: Springer)
46. Madsen G K H, Blaha P, Schwarz K, Sjöstedt E and Nordström L 2001 Phys. Rev. B 64 195134
47. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
48. Fetter A L and Walecka H D 1971 Quantum Theory of Many-Particle Systems (New York: McGraw-Hill) (2003 (Mineola: Dover) reprint)
49. Marini A and del Sole R 2003 Phys. Rev. Lett. 91 176402