An improved density functional theory description of the Ge(100)c(4×2) surface using the MBJLDA xc potential and spin-orbit interactions

Journal of Physics Condensed Matter

Volumn 25, Issue 5, 2013, Pages

  Smith, Phillip V ^a   Radny, Marian W ^a,b   Ali Shah, G ^a  

^a UNIVERSITY OF NEWCASTLE   (Australia)

^b POZNAN UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BULK GERMANIUM; BULK MATERIALS; EXCHANGE POTENTIALS; GE(100); GW METHOD; PLANE WAVE; PSEUDOPOTENTIALS; SPIN ORBIT INTERACTIONS;

GERMANIUM;

DENSITY FUNCTIONAL THEORY;

EID: 84872157794     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/5/056007     Document Type: Article

References (38)

1. Tran F and Blaha P 2009 Phys. Rev. Lett. 102 226401
2. Becke A D and Johnson E R 2006 J. Chem. Phys. 124 221101
3. Singh D J 2010 Phys. Rev. B 82 205102
4. Guo S-D and Liu B-G 2011 EPL 93 47006
5. Feng W, Xiao D, Zhang Y and Yao Y 2010 Phys. Rev. B 82 235121
6. Singh D J 2010 Phys. Rev. B 82 155145
7. Kim Y S, Marsman M, Kresse G, Tran F and Blaha P 2010 Phys. Rev. B 82 205212
8. Koller D, Tran F and Blaha P 2011 Phys. Rev. B 83 195134
9. Smith P V, Hermanowicz M, Shah G A and Radny M W 2012 Comput. Mater. Sci. 54 37
10. Kevan S D and Stoffel N G 1984 Phys. Rev. Lett. 53 702
11. Kevan S D 1985 Phys. Rev. B 32 2344
12. Kubby J A, Griffith J E, Becker R S and Vickers J S 1987 Phys. Rev. B 36 6079
13. Landemark E, Uhrberg R I G, Krüger P and Pollmann J 1990 Surf. Sci. Lett. 236 L359
14. Krüger P and Pollmann P 1991 Prog. Surf. Sci. 35 3
15. Kipp L, Manzke R and Skibowski M 1992 Surf. Sci. 269/270 854
16. Landemark E, Karlsson C J, Johanson L S O and Uhrberg R I G 1994 Phys. Rev. B 49 16523
17. Skibowski M and Kipp L 1994 J. Electron Spectrosc. Relat. Phenom. 68 77
18. Kipp L, Manzke R and Skibowski M 1995 Solid State Commun. 93 603
19. Ferrer S, Torrelles X, Etgens V H, van der Vegt H A and Fajardo P 1995 Phys. Rev. Lett. 75 1771
20. Rohlfing M, Krüger P and Pollmann P 1996 Phys. Rev. B 54 13759
21. Yoshimoto Y, Nakamura Y, Kawai H, Tsukada M and Nakayama M 2000 Phys. Rev. B 61 1965
22. Nakatsuji K, Takagi Y, Komori F, Kusuhara H and Ishii A 2005 Phys. Rev. B 72 241308
23. Gurlu O, Zandvliet H J W and Poelsema B 2004 Phys. Rev. Lett. 93 066101
24. Shirasawa T, Mizuno S and Tochihara H 2006 Surf. Sci. 600 815
25. Jeon C, Hwang C C, Kang T-H, Kim K-J, Kim B, Chung Y and Park C Y 2006 Phys. Rev. B 74 125407
26. Schwingenschlögl U and Schuster C 2007 Chem. Phys. Lett. 449 126
27. Erikson P E J, Adell M, Sakamoto K and Uhrberg R I G 2008 Phys. Rev. B 77 085406
28. Shah G A, Radny M W, Smith P V and Schofield S R 2012 J. Phys. Chem. C 116 6615
29. Zandvliet H J W, Swartzenruber B S, Wulfhekel W, Hattink B J and Poelsema B 1998 Phys. Rev. B 57 6803
30. Li M and Altman E I 2002 Phys. Rev. B 66 115313
31. Maeng J Y, Lee J Y, Cho Y E, Kim S and Jo S K 2002 Appl. Phys. Lett. 81 3555
32. Yan B, Yam C, da Rosa A L and Frauenheim T 2009 Phys. Rev. Lett. 103 189701
33. Shiskin M, Marsman M and Kresse G 2007 Phys. Rev. Lett. 99 246403
34. Gonze X et al 2005 Z. Kristallogr. 220 558
35. Gonze X et al 2009 Comput. Phys. Commun. 180 2582
36. www.abinit.org - ref-separator -
37. Hartwigsen C, Goedecker S and Hutter J 1998 Phys. Rev. B 58 3641
38. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188