Electronic band structures of Ge1-xSnx semiconductors: A first-principles density functional theory study

Journal of Applied Physics

Volumn 113, Issue 6, 2013, Pages

  Lee, Ming Hsien ^a   Liu, Po Liang ^b   Hong, Yung An ^b   Chou, Yen Ting ^b   Hong, Jia Yang ^b   Siao, Yu Jin ^b  

^a TAMKANG UNIVERSITY   (Taiwan)

^b NATIONAL CHUNG HSING UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION MEASUREMENTS; BOND CHARGES; DIRECT BAND GAP; ELECTRONIC BAND STRUCTURE; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HETERONUCLEAR COMPLEXES; HOMONUCLEAR; INDIRECT BAND GAP; L-VALLEY; LOWER CRITICAL; PARAMETRIC FIT; PSEUDOPOTENTIALS; SEMI-CONDUCTOR ALLOYS; SN CONCENTRATION; STRUCTURAL MODELS; THEORETICAL RESULT;

ALLOYS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; GERMANIUM; MODEL STRUCTURES; TIN;

TIN ALLOYS;

EID: 84874289003     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4790362     Document Type: Article

References (28)

1. A. Continenza and A. J. Freeman, Phys. Rev. B. 43, 8951 (1991). 10.1103/PhysRevB.43.8951
2. D. W. Jenkins and J. D. Dow, Phys. Rev. B 36, 7994 (1987) 10.1103/PhysRevB.36.7994
3. H. Pérez Ladrón de Guevara Guevara, A. G. Rodrguez, H. Navarro-Contreras, and M. A. Vidal, Appl. Phys. Lett. 84, 4532 (2004). 10.1063/1.1758772
4. V. R. D'Costa, C. S. Cook, A. G. Birdwell, C. L. Littler, M. Canonico, S. Zollner, J. Kouvetakis, and J. Menndez, Phys. Rev. B 73, 125207 (2006). 10.1103/PhysRevB.73.125207
5. K. A. Mäder, A. Baldereschi, and H. V. Kanel, Solid State Commun. 69, 1123 (1989). 10.1016/0038-1098(89)91046-6
6. A. V. G. Chizmeshya, M. R. Bauer, and J. Kouvetakis, Chem. Mater. 15, 2511 (2003). 10.1021/cm0300011
7. M. R. Bauer, J. Tolle, C. Bungay, A. V. G. Chizmeshya, D. J. Smith, J. Menéndez, and J. Kouvetakis, Solid State Commun. 127, 355 (2003). 10.1016/S0038-1098(03)00446-0
8. G. He and H. A. Atwater, Phys. Rev. Lett. 79, 1937 (1997). 10.1103/PhysRevLett.79.1937
9. P. Moontragoon, Z. Ikonić, and P. Harrison, Semicond. Sci. Technol. 22, 742 (2007). 10.1088/0268-1242/22/7/012
10. R. Pandey, M. Rérat, and M. Causà, Appl. Phys. Lett. 75, 4127 (1999). 10.1063/1.125558
11. W.-J. Yin, X.-G. Gong, and S.-H. Wei, Phys. Rev. B. 78, 161203(R) (2008). 10.1103/PhysRevB.78.161203
12. M. Lv, Z. Chen, and R. Liu, Mater. Lett. 60, 1144 (2006). 10.1016/j.matlet.2005.10.096
13. B. Lee and L.-W. Wang, C. D. Spataru, and S. G. Louie, Phys. Rev. B. 76, 245114 (2007). 10.1103/PhysRevB.76.245114
14. C. I. Ventura, J. D. Fuhr, and R. A. Barrio, Phys. Rev. B. 79, 155202 (2009). 10.1103/PhysRevB.79.155202
15. S. Decoster, S. Cottenier, U. Wahl, J. G. Correia, and A. Vantomme, Phys. Rev. B. 81, 155204 (2010). 10.1103/PhysRevB.81.155204
16. V. P. Markevich, A. R. Peaker, B. Hamilton, V. V. Litvinov, Y. M. Pokotilo, S. B. Lastovskii, J. Coutinho, A. Carvalho, M. J. Rayson, and P. R. Briddon, J. Appl. Phys. 109, 083705 (2011). 10.1063/1.3574405
17. G. He and H. A. Atwater, Appl. Phys. Lett. 68, 664 (1996). 10.1063/1.116502
18. E. A. Fitzgerald, P. E. Freeland, M. T. Asom, W. P. Lowe, R. A. Macharrie, B. E. Weir, A. R. Kortan, F. A. Thiel, Y.-H. Xie, A. M. Sergent, S. L. Cooper, G. A. Thomas, and L. C. Kimerling, J. Electron. Mater. 20, 489 (1991). 10.1007/BF02657831
19. A. M. Rappe, K. M. Rabe, K. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B 41, 1227 (1990). 10.1103/PhysRevB.41.1227
20. See http://opium.sourceforge.net/index.html for information about the Opium pseudopotential generation project.
21. k Newsletters 67 (February) Highlights (2005).
22. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arials, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992). 10.1103/RevModPhys.64.1045
23. V. Milman, B. Winkler, J. A. White, C. J. Pickard, M. C. Payne, E. V. Akhmatskaya, and R. H. Nobes, Int. J. Quantum Chem. 77, 895 (2000). 10.1002/(SICI)1097-461X(2000)77:5<895::AID-QUA10>3.0.CO;2-C
24. P. Aella, C. Cook, J. Tolle, S. Zollner, A. V. G. Chizmeshya, and J. Kouvetakis, Appl. Phys. Lett. 84, 888 (2004). 10.1063/1.1645324
25. G. Sun, R. A. Soref, and H. H. Cheng, J. Appl. Phys. 108, 033107 (2010). 10.1063/1.3467766
26. J. Liu, X. Sun, D. Pan, X. Wang, L. C. Kimerling, T. L. Koch, and J. Michel, Opt. Express 15, 11272 (2007). 10.1364/OE.15.011272
27. J. Menendez and J. Kouvetakis, Appl. Phys. Lett. 85, 1175 (2004). 10.1063/1.1784032
28. J. Tolle, A. V. G. Chizmeshya, Y.-Y. Fang, J. Kouvetakis, V. R. DCosta, C.-W. Hu, J. Menndez, and I. S. T. Tsong, Appl. Phys. Lett. 89, 231924 (2006). 10.1063/1.2403903