Acceptor levels in p-type Cu2O: Rationalizing theory and Experiment

Physical Review Letters

Volumn 103, Issue 9, 2009, Pages

  Scanlon, David O ^a   Morgan, Benjamin J ^a   Watson, Graeme W ^a   Walsh, Aron ^b  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACCEPTOR LEVELS; APPROXIMATION TECHNIQUES; BAND GAPS; CU-BASED; DENSITY-FUNCTIONAL APPROACH; DLTS; HOLE STATE; LOCAL-DENSITY; P-TYPE; POLARONIC CONDUCTION; SINGLE-PARTICLE; TRANSITION LEVEL; TRANSPARENT CONDUCTING OXIDE;

WAVE FUNCTIONS;

EID: 69449108364     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.103.096405     Document Type: Article

References (44)

1. S. Kale, S. Ogale, S. Shinde, M. Sahasrabuddhe, V. Kulkarni, R. Greene, and T. Venkatesan, Appl. Phys. Lett. 82, 2100 (2003). APPLAB 0003-6951 10.1063/1.1564864
2. X. Nie, S.-H. Wei, and S.B. Zhang, Phys. Rev. Lett. 88, 066405 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.88.066405
3. A. Kudo, H. Yanagi, H. Hosono, and H. Kawazoe, Appl. Phys. Lett. 73, 220 (1998). APPLAB 0003-6951 10.1063/1.121761
4. A.N. Banerjee and K.K. Chattopadhyay, Prog. Cryst. Growth Char. Mater. 50, 52 (2005).
5. J.W. Hodby, T.E. Jenkins, C. Schwab, H. Tamura, and D. Trivich, J. Phys. C JPSOAW 0022-3719 9, 1429 (1976). 10.1088/0022-3719/9/8/014
6. J.H. Park and K. Natesan, Oxid. Met. 39, 411 (1993). OXMEAF 0030-770X 10.1007/BF00664664
7. A. Bose, S. Basu, S. Banerjee, and D. Chakravorty, J. Appl. Phys. 98, 074307 (2005). JAPIAU 0021-8979 10.1063/1.2084311
8. R.S. Toth, R. Kilkson, and D. Trivich, Phys. Rev. 122, 482 (1961). PHRVAO 0031-899X 10.1103/PhysRev.122.482
9. J. Maluenda, R. Farhi, and G. Petot-Ervas, J. Phys. Chem. Solids 42, 911 (1981). JPCSAW 0022-3697 10.1016/0022-3697(81)90017-2
10. L.C. Bourne, P.Y. Yu, A. Zettl, and M.L. Cohen, Phys. Rev. B PRBMDO 0163-1829 40, 10973 (1989). 10.1103/PhysRevB.40.10973
11. T. Mahalingham, J. Chitra, S. Rajendran, and P. Sebastian, Semicond. Sci. Technol. SSTEET 0268-1242 17, 565 (2002). 10.1088/0268-1242/17/6/311
12. J.P. Hu, D.J. Payne, R.G. Egdell, P.A. Glans, T. Learmonth, K.E. Smith, J. Guo, and N.M. Harrison, Phys. Rev. B PRBMDO 1098-0121 77, 155115 (2008). 10.1103/PhysRevB.77.155115
13. L. Papadimitiriou, C.A. Dimitriadis, and L. Dozsa, Solid State Electron. 31, 1477 (1988).
14. L. Papadimitiriou, Solid State Commun. 71, 181 (1989). SSCOA4 0038-1098 10.1016/0038-1098(89)90398-0
15. L. Papadimitiriou, Solid State Electron. 36, 431 (1993).
16. A.E. Rakhshani, Y. Makdisi, and X. Mathew, Thin Solid Films 288, 69 (1996). THSFAP 0040-6090 10.1016/S0040-6090(96)08795-0
17. R. Garuthara and W. Siripala, J. Lumin. 121, 173 (2006). JLUMA8 0022-2313 10.1016/j.jlumin.2005.11.010
18. N. Kikuchi, K. Tonooka, and E. Kusano, Vacuum 80, 756 (2006). VACUAV 0042-207X 10.1016/j.vacuum.2005.11.039
19. G.K. Paul, Y. Nawa, H. Sato, T. Sakurai, and K. Akimoto, Appl. Phys. Lett. 88, 141901 (2006). APPLAB 0003-6951 10.1063/1.2175492
20. A.E. Rakhshani, J. Appl. Phys. 69, 2365 (1991). JAPIAU 0021-8979 10.1063/1.348719
21. J. Bloem, Phillips Research Reports 13, 167 (1958).
22. M. Nolan and S.D. Elliot, Phys. Chem. Chem. Phys. 8, 5350 (2006). PPCPFQ 1463-9076 10.1039/b611969g
23. H. Raebiger, S. Lany, and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 76, 045209 (2007). 10.1103/PhysRevB.76.045209
24. A. Soon, X.Y. Cui, B. Delley, S.-H. Wei, and C. Stampfl, Phys. Rev. B PRBMDO 1098-0121 79, 035205 (2009). 10.1103/PhysRevB.79.035205
25. A.F. Wright and J.S. Nelson, J. Appl. Phys. 92, 5849 (2002). JAPIAU 0021-8979 10.1063/1.1516620
26. D.O. Scanlon, B.J. Morgan, and G.W. Watson, J. Chem. Phys. (to be published). JCPSA6 0021-9606
27. P. Mori-Sánchez, A.J. Cohen, and W. Yang, Phys. Rev. Lett. 100, 146401 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.146401
28. B.J. Morgan and G.W. Watson, Surf. Sci. 601, 5034 (2007). SUSCAS 0039-6028 10.1016/j.susc.2007.08.025
29. D.O. Scanlon, A. Walsh, B.J. Morgan, and G.W. Watson, J. Phys. Chem. C 112, 9903 (2008). 1932-7447 10.1021/jp711334f
30. J.L.F. Da Silva, M.V. Ganduglia-Pirovano, J. Sauer, V. Bayer, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 75, 045121 (2007). 10.1103/PhysRevB.75. 045121
31. A. Walsh, J.L.F. Da Silva, Y. Yan, M.M. Al-Jassim, and S.H. Wei, Phys. Rev. B PRBMDO 1098-0121 79, 073105 (2009). 10.1103/PhysRevB.79.073105
32. J. Paier, R. Asahi, A. Nagoya, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 79, 115126 (2009). 10.1103/PhysRevB.79.115126
33. S. Heyd, G.E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). JCPSA6 0021-9606 10.1063/1.1564060
34. J. Paier, M. Marsman, K. Hummer, G. Kresse, I.C. Gerber, and J.G. ngyán, J. Chem. Phys. 124, 154709 (2006). JCPSA6 0021-9606 10.1063/1.2187006
35. A. Önsten, M. Månsson, T. Claesson, T. Muro, T. Matsushita, T. Nakamura, T. Kinoshita, U.O. Karlsson, and O. Tjernberg, Phys. Rev. B PRBMDO 1098-0121 76, 115127 (2007). 10.1103/PhysRevB.76.115127
36. G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 6, 15 (1996). 10.1016/0927-0256(96)00008-0
37. R.M. Nieminen, Theory of Defects in Semiconductors, Topics in Applied Physics (Springer, Berlin, 2007).
38. O.M. Madelung, Semiconductors: Data Handbook (Springer, Berlin, 2004).
39. G.K. Paul, R. Ghosh, K. Bera, S. Bandyopadhyay, T. Sakurai, and K. Akimoto, Chem. Phys. Lett. 463, 117 (2008). CHPLBC 0009-2614 10.1016/j.cplett.2008.08.065
40. W.M. Sears and E. Fortin, Solar Energy Mater. Sol. Cells 10, 93 (1984). SEMCEQ 0927-0248
41. J.A. Assimos and D. Trivich, J. Appl. Phys. JAPIAU 0021-8979 44, 1687 (1973). 10.1063/1.1662432
42. F.A. Benko and F.P. Koffyberg, J. Phys. Chem. Solids 48, 431 (1987). JPCSAW 0022-3697 10.1016/0022-3697(87)90103-X
43. B.J. Ingram, G.B. Gonzalez, T.O. Mason, D.Y. Shahriari, A. Barnabe, D. Ko, and K.R. Poeppelmeier, Chem. Mater. CMATEX 0897-4756 16, 5616 (2004). 10.1021/cm048983c
44. B.J. Ingram, B.J. Harder, N.W. Hrabe, T.A. Mason, and K.R. Poeppelmeier, Chem. Mater. 16, 5623 (2004). CMATEX 0897-4756 10.1021/cm048982k