Intrinsic DX centers in ternary chalcopyrite semiconductors

Physical Review Letters

Volumn 100, Issue 1, 2008, Pages

  Lany, Stephan ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRAPS; ELECTRONS; IMPURITIES; SOLAR CELLS; THIN FILM DEVICES;

ELECTRON-DONATING IMPURITIES; FIRST-PRINCIPLES CALCULATIONS; TERNARY CHALCOPYRITE SEMICONDUCTORS;

SEMICONDUCTOR MATERIALS;

EID: 40749107425     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.100.016401     Document Type: Article

References (26)

1. D.V. Lang and R.A. Logan, Phys. Rev. Lett. 39, 635 (1977). PRLTAO 0031-9007 10.1103/PhysRevLett.39.635
2. D.J. Chadi and K.J. Chang, Phys. Rev. Lett. 61, 873 (1988). PRLTAO 0031-9007 10.1103/PhysRevLett.61.873
3. C. Wetzel, Phys. Rev. Lett. 78, 3923 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.78.3923
4. T. Thio, J. Electron. Mater. JECMA5 0361-5235 25, 229 (1996). 10.1007/BF02666249
5. W.N. Shafarman and L. Stolt, in Handbook of Photovoltaic Science and Engineering, edited by, A. Luque, and, S. Hegedus, (Wiley, New York, 2003).
6. S. Lany, Appl. Phys. Lett. 86, 042109 (2005); APPLAB 0003-6951 10.1063/1.1854218
7. Y.J. Zhao, Appl. Phys. Lett. 85, 5860 (2004). APPLAB 0003-6951 10.1063/1.1830074
8. C. Persson, Phys. Rev. B PRBMDO 0163-1829 72, 035211 (2005). 10.1103/PhysRevB.72.035211
9. P. Migliorato, J. Appl. Phys. 46, 1777 (1975). JAPIAU 0021-8979 10.1063/1.321782
10. A. Rockett and R.W. Birkmire, J. Appl. Phys. 70, R81 (1991). JAPIAU 0021-8979 10.1063/1.349175
11. S.B. Zhang, S.H. Wei, and A. Zunger, Phys. Rev. Lett. 78, 4059 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.78.4059
12. C. Persson and A. Zunger, Phys. Rev. Lett. 91, 266401 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.266401
13. S. Siebentritt, Phys. Rev. Lett. 97, 146601 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.146601
14. S. Lany and A. Zunger, Phys. Rev. Lett. 93, 156404 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.93.156404
15. J. Ihm, A. Zunger, and M.L. Cohen, J. Phys. C 12, 4409 (1979); JPSOAW 0022-3719 10.1088/0022-3719/12/21/009
16. G. Kresse and J. Joubert, Phys. Rev. B PRBMDO 0163-1829 59, 1758 (1999). 10.1103/PhysRevB.59.1758
17. S. Lany and A. Zunger, J. Appl. Phys. 100, 113725 (2006). JAPIAU 0021-8979 10.1063/1.2388256
18. G. Makov and M.C. Payne, Phys. Rev. B PRBMDO 0163-1829 51, 4014 (1995). 10.1103/PhysRevB.51.4014
19. S. Lany, H. Wolf, and Th. Wichert, Phys. Rev. Lett. 92, 225504 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.225504
20. The single-particle levels of InCu in CuInSe2 and GaCu in CuGaSe2 occur as resonances above the LDA-calculated CBM. After correction of the band gap through a rigid shift of the CBM, the level of GaCu lies inside the gap, whereas the InCu level is still resonant. This difference is reflected in the deeper (2+/+) transition energy at EC-0.39eV for GaCu, compared to the shallow level at EC-0.09eV for InCu (EC-0.69eV and EC-0.34eV, respectively, in the earlier work
21. [S.H. Wei, Appl. Phys. Lett. 72, 3199 (1998)]) APPLAB 0003-6951 10.1063/1.121548.
22. S. Lany and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 72, 035215 (2005). 10.1103/PhysRevB.72.035215
23. S.H. Wei and A. Zunger, J. Appl. Phys. 78, 3846 (1995); JAPIAU 0021-8979 10.1063/1.359901
24. S.H. Wei A. Zunger Appl. Phys. Lett. 72, 2011 (1998). APPLAB 0003-6951 10.1063/1.121249
25. M. Igalson, A. Kubiaczyk, and P. Zabierowski, Mater. Res. Soc. Symp. Proc. MRSPDH 0272-9172 668, H9.2.1 (2001);
26. M. Igalson, M. Bodegard, and L. Stolt, Solar Energy Materials and Solar Cells SEMCEQ 0927-0248 80, 195 (2003). 10.1016/j.solmat.2003.06.006