On the chemical origin of the gap bowing in (GaAs) 1-xGe 2x Alloys: A Combined DFT-QSGW Study

Nanoscale Research Letters

Volumn 5, Issue 3, 2010, Pages 469-477

  Giorgi, Giacomo ^a   Van Schilfgaarde, Mark ^b   Korkin, Anatoli ^b   Yamashita, Koichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b ARIZONA STATE UNIVERSITY   (United States)

Author keywords

Bandgap bowing; DFT; III V IV doped alloys; Order disorder phase transition; Photovoltaics; Quasiparticle Self consistent GW

Indexed keywords

BANDGAP BOWING; CHEMICAL ORIGIN; EXPERIMENTAL EVIDENCE; GAAS; GAP BOWING; GW APPROXIMATION; NEW MATERIAL; ORDER DISORDER PHASE TRANSITIONS; PHOTOVOLTAICS; QUASI PARTICLES; RESEARCH AND ANALYSIS;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ENERGY CONVERSION; ENERGY GAP; GALLIUM ALLOYS; GALLIUM ARSENIDE; GERMANIUM; OPTICAL PROPERTIES; PHOTOVOLTAIC EFFECTS; SEMICONDUCTING GALLIUM; SOLAR ENERGY;

PHASE TRANSITIONS;

EID: 77950517875     PISSN: 19317573     EISSN: 1556276X     Source Type: Journal    
DOI: 10.1007/s11671-009-9516-2     Document Type: Article

References (63)

1. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 2005).
2. M. Levinstein, Handbook Series on Semiconductor Parameters vol 1, 2 (World Scientific, London, 1999).
3. S. Q. Wang, H. Q. Ye, J. Phys.: Condens. Matter 14, 9579 (2002).
4. B. G. Streetman, S. Banerjee, Solid State electronic Devices (Prentice Hall, New Jersey, 2000).
5. H. Holloway, Phys. Rev. B 66, 075131 (2002).
6. K. E. Newman, J. D. Dow, B. Bunker, L. L. Abels, P. M. Raccah, S. Ugur, D. Z. Xue, A. Kobayashi, Phys. Rev. B 39, 657 (1989).
7. R. Osorio, S. Froyen, Phys. Rev. B 47, 1889 (1993).
8. A. G. Rodriguez, H. Navarro-Contreras, M. A. Vidal, Phys. Rev. B 63, 115328 (2001).
9. T. Ito, T. Ohno, Surf. Sci. 267, 87 (1992).
10. T. Ito, T. Ohno, Phys. Rev. B 47, 16336 (1993).
11. K. E. Newman, D. W. Jenkins, Superlattices and Microstruct 1, 275 (1985).
12. M. A. Bowen, A. C. Redfield, D. V. Froelich, K. E. Newman, R. E. Allen, J. D. Dow, J. Vac. Sci. Technol. B 1(3), 747 (1983).
13. S. A. Barnett, M. A. Ray, A. Lastras, B. Kramer, J. E. Greene, P. M. Raccah, L. L. Abels, Electron. Lett. 18, 891 (1982).
14. Zh. I. Alferov, M. Z. Zhingarev, S. G. Konnikov, I. I. Mokan, V. P. Ulin, V. E. Umanskii, B. S. Yavich, Sov. Phys. Semicond. 16, 532 (1982).
15. A. G. Norman, J. M. Olson, J. F. Geisz, H. R. Moutinho, A. Mason, M. M. Al-Jassim, M. Vernon, Appl. Phys. Lett. 74, 1382 (1999).
16. I. Banerjee, D. W. Chung, H. Kroemer, Appl. Phys. Lett. 46, 494 (1985).
17. A. J. Noreika, M. H. Francombe, J. Appl. Phys. 45, 3690 (1974).
18. S. H. Baker, S. C. Bayliss, S. J. Gurman, N. Elgun, J. S. Bates, E. A. Davis, J. Phys.: Condens. Matter 5, 519 (1993).
19. K. E. Newman, J. D. Dow, Phys. Rev. B 27, 7495 (1983).
20. A. G. Rodriguez, H. Navarro-Contreras, M. A. Vidal, Appl. Phys. Lett. 77, 2497 (2000).
21. E. A. Stern, F. Ellis, K. Kim, L. Romano, S. I. Shah, J. E. Greene, Phys. Rev. Lett. 54, 905 (1985).
22. K. Kim, E. A. Stern, Phys. Rev. B 32, 1019 (1985).
23. L. C. Davis, H. Holloway, Phys. Rev. B 35, 2767 (1987).
24. H. Holloway, L. C. Davis, Phys. Rev. B 35, 3823 (1987).
25. H. Holloway, L. C. Davis, Phys. Rev. Lett. 53, 830 (1984).
26. M. I. D'yakonov, M. E. Raikh, Fiz. Tekh. Poluprovodn. 16, 890 (1982). Sov. Phys. Semicond. 16, 570 (1982).
27. K. Mader, A. Zunger, Phys. Rev. B 51, 10462 (1995).
28. Y. Seong, A. G. Norman, I. T. Ferguson, G. R. Booker, J. Appl. Phys. 73, 8227 (1993).
29. J. P. Perdew, A. Zunger, Phys. Rev. B 23, 5048 (1981).
30. D. M. Ceperley, B. I. Alder, Phys. Rev. Lett. 45, 566 (1980).
31. K. Burke, J. P. Perdew, Y. Wang (Electronic Density Functional Theory: Recent Progress and New Directions, Plenum Press, New York, 1998).
32. J. P. Perdew, Electronic Structure of Solids 91 (Akademie Verlag, Berlin, 1991).
33. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
34. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
35. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999).
36. M. Methfessel, M. van Schilfgaarde, R. A. Casali, Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method, Lecture Notes in Physics 535, 114.(Springer-Verlag Berlin 2000).
37. L. Hedin, Phys. Rev. 139, A796 (1965).
38. R. Gomez-Abal, X. Li, M. Scheffler, C. Ambrosch-Draxl, Phys. Rev. Lett. 101, 106404 (2008).
39. T. Kotani, M. van Schilfgaarde, Solid State Commun. 121, 461 (2002).
40. T. Kotani, M. van Schilfgaarde, S. V. Faleev, Phys. Rev. B 76, 165106 (2007).
41. M. van Schilfgaarde, T. Kotani, S. V. Faleev, Phys. Rev. B 74, 245125 (2006).
42. M. van Schilfgaarde, T. Kotani, S. V. Faleev, Phys. Rev. Lett. 96, 226402 (2006).
43. M. Shishkin, M. Marsman, G. Kresse, Phys. Rev. Lett. 99, 246403 (2007).
44. A. N. Chantis, M. van Schilfgaarde, T. Kotani, Phys. Rev. Lett. 96, 086405 (2006).
45. L. Viña, S. Logothetidis, M. Cardona, Phys. Rev. B 30, 1979 (1984).
46. P. Lautenschlager, M. Garriga, S. Logothetidis, M. Cardona, Phys. Rev. B 35, 9174 (1987).
47. C. Y. Yeh, Z. W. Lu, S. Froyen, A. Zunger, Phys. Rev. B 46, 10086 (1992).
48. S. Q. Wang, H. Q. Ye, J. Phys.: Condens. Matter 15, L197 (2003).
49. S. Kalvoda, B. Paulus, P. Fulde, Phys. Rev. B 55, 4027 (1997).
50. K. H. Hellwege, O. Madelung, Landolt-Börnstein New Series Group III (Springer, Berlin, 1982).
51. J. Singh, Physics of Semiconductors and their Heterostructures (McGraw & Hill, New York, 1993).
52. H. Arabi, A. Pourghazi, F. Ahmadian, Z. Nourbakhsh, Phys B: Condens Matter 373, 16 (2006).
53. A. Wronka, Mater Sci-Pol 24, 726 (2006).
54. CRC Handbook of Chemistry & Physics, (1997-1998).
55. M. Murayama, T. Nakayama, Phys. Rev. B 49, 4710 (1994).
56. A. Bautista-Hernandez, L. Perez-Arrieta, U. Pal, J. F. Rivas Silva, Rev. Mex. Fis. 49, 9 (2003).
57. G. Henkelman, A. Arnaldsson, H. Jónsson, Comput. Mater. Sci. 36, 354 (2006).
58. E. Sanville, S. D. Kenny, R. Smith, G. Henkelman, J. Comp. Chem. 28, 899 (2007).
59. W. Tang, E. Sanville, G. Henkelman, J. Phys.: Condens. Matter 21, 084204 (2009).
60. S. Zhang, J. Northrup, Phys. Rev. Lett. 67, 2339 (1991).
61. L. Landau, Zh. Eksp. Teor. Fiz. 7, 19 (1937).
62. T. Mattila, R. M. Nieminen, Phys. Rev. B 54, 16676 (1996).
63. Y. Bar-Yam, D. Kandel, E. Domany, Phys. Rev. B 41, 12869 (1990).