Electronic and optical properties of potential solar absorber Cu 3PSe4

Applied Physics Letters

Volumn 99, Issue 18, 2011, Pages

  Foster, D H ^a   Jieratum, V ^a   Kykyneshi, R ^a   Keszler, D A ^a   Schneider, G ^a  

^a OREGON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ABSORBER MATERIAL; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIFFUSE REFLECTANCE SPECTROSCOPY; GAAS; HYBRID FUNCTIONALS; VISIBLE REGION;

ABSORPTION SPECTROSCOPY; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ENERGY GAP; LIGHT ABSORPTION; SOLAR ABSORBERS; SOLAR POWER GENERATION;

OPTICAL PROPERTIES;

EID: 80855124793     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3656760     Document Type: Article

References (24)

1. J. Garin and E. Parth, Acta Crystallogr. 28, 3672 (1972). 10.1107/S0567740872008568
2. H. W. Ma, G. C. Guo, G. W. Zhou, M. S. Wang, S. H. Lin, Z. C. Dong, and J. S. Huang, Chin. J. Struct. Chem. 21, 288 (2002).
3. J. Marzik, A. Hsieh, K. Dwight, and A. Wold, J. Solid State Chem. 49, 43 (1983). 10.1016/0022-4596(83)90214-1
4. P. E. Bloechl, Phys. Rev. B 50, 17953 (1994) 10.1103/PhysRevB.50.17953
5. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
6. G. Kresse and J. Furthmller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
7. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992). 10.1103/PhysRevB.46. 6671
8. C. Stampfl and C. G. V. de Walle, Phys. Rev. B 59, 5521 (1999). 10.1103/PhysRevB.59.5521
9. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003) 10.1063/1.1564060
10. J. Heyd, G. E. Scuseria, and M. Ernzerhof, ibid 124, 219906 (2006). 10.1063/1.2204597
11. J. E. Peralta, J. Heyd, G. E. Scuseria, and R. L. Martin, Phys. Rev. B 74, 073101 (2006) 10.1103/PhysRevB.74.073101
12. Y. Kim, K. Hummer, and G. Kresse, Phys. Rev. B 80, 035203 (2009) 10.1103/PhysRevB.80.035203
13. M. K. Y. Chan and G. Ceder, Phys. Rev. Lett. 105, 196403 (2010). 10.1103/PhysRevLett.105.096403
14. M. Shishkin and G. Kresse, Phys. Rev. B 75, 235102 (2007). 10.1103/PhysRevB.75.235102
15. J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Angyan, J. Chem. Phys. 124, 154709 (2006). 10.1063/1.2187006
16. W. E. Pickett, H. Krakauer, and P. B. Allen, Phys. Rev. B 38, 2721 (1988). 10.1103/PhysRevB.38.2721
17. A. Pfitzner and S. Reiser, Z. Kristallogr. 217, 51 (2002). 10.1524/zkri.217.2.51.20632
18. J. Paier, R. Asahi, A. Nagoya, and G. Kresse, Phys. Rev. B 79, 115126 (2009). 10.1103/PhysRevB.79.115126
19. M. Gajdos, K. Hummer, G. Kresse, J. Furthmller, and F. Bechstedt, Phys. Rev. B 73, 045112 (2006). 10.1103/PhysRevB.73.045112
20. E. D. Palik, Handbook of Optical Constants of Solids (Academic, Orlando, 1991).
21. P. D. Paulson, R. W. Birkmire, and W. N. Shafarman, J. Appl. Phys. 94, 879 (2003). 10.1063/1.1581345
22. M. Kemell, M. Ritala, and M. Leskel, Crit. Rev. Solid State 30, 1 (2005). 10.1080/10408430590918341
23. 4 which has similar absorption. K. Ito and T. Nakazawa, Jpn. J. Appl. Phys. 27, 2094 (1988). 10.1143/JJAP.27.2094
24. J. E. Jaffe and A. Zunger, Phys. Rev. B 29, 1882 (1984). 10.1103/PhysRevB.29.1882