Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO 2

Physical Review B - Condensed Matter and Materials Physics

Volumn 86, Issue 6, 2012, Pages

  Landmann, M ^a   Kohler T ^b   Koppen S ^b   Rauls, E ^a   Frauenheim, T ^b   Schmidt, W G ^a  

^a UNIVERSITY OF PADERBORN   (Germany)

^b UNIVERSITY OF BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84865078176     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.064201     Document Type: Article

References (137)

1. R. Marchand, L. Brohan, and M. Tournoux, Mater. Res. Bull. MRBUAC 0025-5408 10.1016/0025-5408(80)90076-8 15, 1129 (1980).
2. J. F. Banfield and D. R. Veblen, Am. Mineral. 77, 545 (1992).
3. M. Latroche, L. Brohan, R. Marchand, and M. Tournoux, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(89)90204-1 81, 78 (1989).
4. J. Akimoto, Y. Gotoh, Y. Oosawa, N. Nonose, T. Kumagai, K. Aoki, and H. Takei, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1994.1337 113, 27 (1994).
5. P. Y. Simons and F. Dachille, Acta Cryst. ACCRA9 0365-110X 10.1107/S0365110X67002713 23, 334 (1967).
6. J. Haines and J. M. Léger, Physica B PHYBE3 0921-4526 10.1016/0921-4526(93)90025-2 192, 233 (1993).
7. K. Lagarec and S. Desgreniers, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(95)00129-8 94, 519 (1995).
8. H. Sato, S. Endo, M. Sugiyama, T. Kikegawa, O. Shimomura, and K. Kusaba, Science SCIEAS 0036-8075 10.1126/science.251.4995.786 251, 786 (1991).
9. N. A. Dubrovinskaia, L. S. Dubrovinsky, R. Ahuja, V. B. Prokopenko, V. Dmitriev, H. P. Weber, J. M. Osorio-Guillen, and B. Johansson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.275501 87, 275501 (2001).
10. L. S. Dubrovinsky, N. A. Dubrovinskaia, V. Swamy, J. Muscat, N. M. Harrison, R. Ahuja, B. Holm, and B. Johansso, Nature (London) NATUAS 0028-0836 10.1038/35070650 410, 653 (2001).
11. M. Mattesini, J. S. de Almeida, L. Dubrovinsky, N. Dubrovinskaia, B. Johansson, and R. Ahuja, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70. 212101 70, 212101 (2004).
12. D. Y. Kim, J. S. de Almeida, L. Koči, and R. Ahuja, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2731522 90, 171903 (2007).
13. X. Wu, E. Holbig, and G. Steinle-Neumann, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/29/295501 22, 295501 (2010).
14. I. Manzini, G. Antonioli, D. Bersani, P. P. Lottici, G. Gnappi, and A. Montenero, J. Non. Cryst. Sol. JNCSBJ 0022-3093 10.1016/0022-3093(95)00401-7, 192 519 (1995);
15. I. Manzini, G. Antonioli, D. Bersani, P. P. Lottici, G. Gnappi, and A. Montenero, J. Non. Cryst. Sol. JNCSBJ 0022-3093 10.1016/0022-3093(95)00401-7 193 519 (1995).
16. V. Petkov, G. Holzhüter, U. Tröge, Th. Gerber, and B. Himmel, J. Non-Crystal. Sol. JNCSBJ 0022-3093 10.1016/S0022-3093(98)00418-9 231, 17 (1998).
17. D. Reyes-Coronado, G. Rodríguez-Gattorno, M. E. Espinosa-Pesqueira, C. Cab, R. de Coss, and G. Oskam, Nanotechnology NNOTER 0957-4484 10.1088/0957-4484/19/14/145605 19, 145605 (2008).
18. M. Landmann, E. Rauls, and W. G. Schmidt, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/19/195503 24, 195503 (2012).
19. J. M. Verduzco, H. Chung, C. Hu, and W. Choe, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic9009916 48, 9060 (2009).
20. K. Hashimoto, H. Irie, and A. Fujishima, AAPPS Bulletin 17, 12 (2007).
21. A. Fujishima, X. Zhang, and D. A. Tryk, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/j.surfrep.2008.10.001 63, 515 (2008).
22. L. S. Hsu, R. Rujkorakarn, J. R. Sites, and C. Y. She, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.336817 59, 3475 (1986).
23. X. Chen and S. S. Mao, Chem. Rev. CHREAY 0009-2665 10.1021/cr0500535 107, 2891 (2007).
24. H. Zhang, B. Chen, J. F. Banfield, and G. A. Waychunas, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.214106 78, 214106 (2008).
25. S. B. Amor, G. Baud, J. P. Besse, and M. Jacquet, Mater. Sci. Eng. B MSBTEK 0921-5107 10.1016/S0921-5107(97)00027-5 47, 110 (1997).
26. R. Dannenberg and P. Greene, Thin Sol. Films THSFAP 0040-6090 10.1016/S0040-6090(99)00938-4 360, 122 (2000).
27. S. B. Amor, L. Guedri, G. Baud, M. Jacquet, and M. Ghedira, Mat. Chem. Phys. MCHPDR 0254-0584 10.1016/S0254-0584(02)00189-X 77, 903 (2002).
28. D. Mardare and G. I. Rusu, Mat. Lett. MLETDJ 0167-577X 10.1016/S0167-577X(02)00441-X 56, 210 (2002).
29. K. Eufinger, D. Poelman, H. Poelman, R. De Gryse, and G. B. Marin, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/j.apsusc.2007.07.009 254, 148 (2007).
30. E. Gofuku, Y. Toyoda, Y. Uehara, M. Kohara, and M. Nunoshita, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/0169-4332(91)90355-N 48, 343 (1991);
31. E. Gofuku, Y. Toyoda, Y. Uehara, M. Kohara, and M. Nunoshita, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/0169-4332(91)90355-N 49, 343 (1991).
32. S. Y. Kim, Appl. Optics APOPAI 0003-6935 10.1364/AO.35.006703 35, 6703 (1996).
33. H. Takikawa, T. Matsui, T. Sakakibara, A. Bendavid, and P. J. Martin, Thin Sol. Films THSFAP 0040-6090 10.1016/S0040-6090(99)00054-1 348, 145 (1999).
34. Z. W. Zhao, B. K. Tay, S. P. Lau, and G. Q. Yu, J. Cryst. Growth JCRGAE 0022-0248 10.1016/j.jcrysgro.2004.04.088 268, 543 (2004).
35. V. Luca, S. Djajanti, and R. F. Howe, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp981644k 102, 10650 (1998).
36. Z. Wang, U. Helmersson, and P.-O. Käll, Thin Sol. Films THSFAP 0040-6090 10.1016/S0040-6090(01)01767-9 405, 50 (2002).
37. D. Mardare and P. Hones, Mater. Sci. Eng. B MSBTEK 0921-5107 10.1016/S0921-5107(99)00335-9 68, 42 (1999).
38. M. Zhang, G. Lin, C. Dong, and L. Wen, Surf. & Coat. Technol. SCTEEJ 0257-8972 10.1016/j.surfcoat.2007.01.043 201, 7252 (2007).
39. J. Nowotny, T. Bak, T. Burg, M. K. Nowotny, and L. R. Sheppard, J. Phys. Chem. C 1932-7447 10.1021/jp067869+ 111, 9769 (2007).
40. D. Sarkar, C. K. Ghosh, U. N. Maiti, and K. K. Chattopadhyay, Physica B PHYBE3 0921-4526 10.1016/j.physb.2011.01.043 406, 1429 (2011).
41. H. Zhang, J. F. Banfield, and L. Wen, J. Mater. Chem. JMACEP 0959-9428 10.1039/a802619j 8, 2073 (1998).
42. M. Fernández-García, C. Belver, Jonathan C. Hanson, Xianqin Wang, and J. A. Rodriguez, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja074064m 129, 13604 (2007).
43. S. Bauer, A. Pittrof, H. Tsuchiya, and P. Schmuki, Electrochem. Commun. 1388-2481 10.1016/j.elecom.2011.03.003 13, 538 (2011).
44. E. Leitão, R. A. Silva, and M. A. Barbosa, Corros. Sci. CRRSAA 0010-938X 10.1016/S0010-938X(97)83352-5 39, 377 (1996).
45. R. Karpagavalli, A. Zhou, P. Chellamuthu, and K. Nguyen, J. Biomed. Mater. Res. Part A 1549-3296 10.1002/jbm.a.31447 83, 1087 (2007).
46. K. M. Glassford and J. R. Chelikowsky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.1284 46, 1284 (1992).
47. P. J. Hardman, G. N. Raikar, C. A. Muryn, G. van der Laan, P. L. Wincott, G. Thornton, D. W. Bullett, and P. A. D. M. A. Dale, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.7170 49, 7170 (1994).
48. S.-D. Mo and W. Y. Ching, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.51.13023 51, 13023 (1995).
49. M. Mikami, S. Nakamura, O. Kitao, H. Arakawa, and X. Gonze, Jpn. J. Appl. Phys. JAPLD8 0021-4922 10.1143/JJAP.39.L847 39, L847 (2000).
50. R. Asahi, Y. Taga, W. Mannstadt, and A. J. Freeman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.7459 61, 7459 (2000).
51. M. Calatayud, P. Mori-Sánchez, A. Beltrán, A. M. Pendás, E. Francisco, J. Andrés, and J. M. Recio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.184113 64, 184113 (2001).
52. J. Muscat, V. Swamy, and N. M. Harrison, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.224112 65, 224112 (2002).
53. C. Qiang and C. Hong-Hong, Chin. Phys. 1009-1963 10.1088/1009-1963/13/12/ 025 13, 2121 (2004).
54. Y. Jing-Xin, F. Min, J. Guang-Fu, and C. Xiang-Rong, Chin. Phys. B 1674-1056 10.1088/1674-1056/18/1/043 18, 269 (2009).
55. F. M. Hossain, L. Sheppard, J. Nowotny, and G. E. Murch, J. Phys. Chem. Sol. JPCSAW 0022-3697 10.1016/j.jpcs.2008.01.017 69, 1820 (2008).
56. E. Shojaee and M. R. Mohammadizadeh, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/1/015401 22, 015401 (2010).
57. A. F. da Silva, I. Pepe, C. S. S. Brasil, D. G. F. David, E. F. da Silva Jr., C. Persson, T. Lindgren, J. S. de Almeida, C. M. Araújo, and R. Ahuja, Phys. Status Solidi C 1610-1634 10.1002/pssc.200405148 1, S241 (2004).
58. C. Persson and A. F. da Silva, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1940739 86, 231912 (2005).
59. F. Thomazi, L. S. Roman, A. F. da Silva, and C. Persson, Phys. Status Solidi C 1610-1634 10.1002/pssc.200982548 6, 2740 (2009).
60. L. K. Dash, F. Bruneval, V. Trinité, N. Vast, and L. Reining, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2005.09.010 38, 482 (2007).
61. H. M. Lawler, J. J. Rehr, F. Vila, S. D. Dalosto, E. L. Shirley, and Z. H. Levine, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.205108 78, 205108 (2008).
62. L. Chiodo, J. M. García-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82. 045207 82, 045207 (2010).
63. A. Thilagam, D. J. Siompson, and A. R. Gerson, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/23/2/025901 23, 025901 (2011).
64. W. Kang and M. S. Hybertsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.085203 82, 085203 (2010).
65. U. Diebold, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(02)00100- 0 48, 53 (2003).
66. U. Diebold, N. Ruzycki, G. S. Herman, and A. Selloni, Catalysis Today CATTEA 0920-5861 10.1016/S0920-5861(03)00378-X 85, 93 (2003).
67. X.-Q. Gong and A. Selloni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.235307 76, 235307 (2007).
68. A. Selloni, Nat. Mater. 1476-1122 10.1038/nmat2241 7, 613 (2008).
69. X.-Q. Gong, N. Khorshidi, A. Stierle, V. Vonk, C. Ellinger, H. Dosch, H. Cheng, A. Selloni, Y. He, O. Dulub, and U. Diebold, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2008.10.034 603, 138 (2009).
70. M. D. Rasmussen, L. M. Molina, and B. Hammer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1631922 120, 988 (2004).
71. S. Wendt, R. Schaub, J. Matthiesen, E. K. Vestergaard, E. Wahlström, M. D. Rasmussen, P. Thostrup, L. M. Molina, E. Lægsgaard, I. Stensgaard, B. Hammer, and F. Besenbacher, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2005. 08.041 598, 226 (2005).
72. U. Martinez and B. Hammer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3589861 134, 194703 (2011).
73. P. W. Anderson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.109.1492 109, 1492 (1958).
74. P. W. Anderson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.34. 953 34, 953 (1975).
75. M. H. Cohen, H. Fritzsche, and S. R. Ovshinsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.22.1065 22, 1065 (1969).
76. Sir N. Mott, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.50.203 50, 203 (1978).
77. B. Prasai, B. Cai, D. A. Drabold, M. K. Underwood, and J. P. Lewis, MS&T-11 Conf. Proceedings (Curran Associates, Inc., New York, 2011).
78. V. van Hoang, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb. 200642516 244, 1280 (2007).
79. Bokhimi, A. Morales, O. Novaro, T. López, E. Sánchez, and R. Gómez, J. Mater. Res. JMREEE 0884-2914 10.1557/JMR.1995.2788 10, 2788 (1995).
80. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
81. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
82. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
83. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
84. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
85. J. P. Perdew and K. Burke and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
86. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003).
87. J. Heyd and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1760074 121, 1187 (2004).
88. J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2085170 123, 174101 (2005).
89. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (2006).
90. L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
91. L. Hedin and S. Lundqvist, in Solid State Physics, edited by, F. Seitz, D. Turnbull, and, H. Ehrenreich, (Academic Press, New York, 1970), Vol. 23, p. 1.
92. M. Shishkin and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.035101 74, 035101 (2006).
93. M. Shishkin and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.235102 75, 235102 (2007).
94. F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.115109 76, 115109 (2007).
95. M. Shishkin, M. Marsman, and G. Kresse, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.246403 99, 246403 (2007).
96. C. Mietze, M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F. H. Julien, W. G. Schmidt, K. Lischka, and D. J. As, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.195301 83, 195301 (2011).
97. L. J. Sham and T. M. Rice, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.144.708 144, 708 (1966).
98. W. Hanke and L. J. Sham, Phys. Rev. B 1098-0121 10.1103/PhysRevB.12.4501 12, 4501 (1975).
99. W. Hanke and L. J. Sham, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.21.4656 21, 4656 (1980).
100. S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.4510 80, 4510 (1998).
101. W. G. Schmidt, S. Glutsch, P. H. Hahn, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.085307 67, 085307 (2003).
102. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.7260 58, 7260 (1998).
103. D. Porezag, T. Frauenheim, T. Köhler, G. Seifert, and R. Kaschner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.51.12947 51, 12947 (1995).
104. Th. Frauenheim, G. Seifert, M. Elstner, Z. Haynal, G. Jungnickel, S. Suhai, and R. Scholz, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/(SICI)1521-3951(200001)217:1<41::AID-PSSB41>3.0.CO;2-V 227, 41 (2000).
105. Y. Lifshitz, Th. Köhler, Th. Frauenheim, I. Guzmann, A. Hoffman, R. Q. Zhang, X. T. Zhou, and S. T. Lee, Science SCIEAS 0036-8075 10.1126/science.1074551 297, 1531 (2002).
106. G. Seifert, Th. Köhler, and Th. Frauenheim, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1289263 77, 1313 (2000).
107. R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985).
108. G. Dolgonos, B. Aradi, N. H. Moreira, and Th. Frauenheim, J. Chem. Theory Comput. 1549-9618 10.1021/ct900422c 6, 266 (2010).
109. K. M. Glassford, N. Troullier, José Luis Martins, and J. R. Chelikowsky, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(90)90105-K 76, 653 (1990).
110. S. Langel, W. Surf. Sci SUSCAS 0039-6028 10.1016/S0039-6028(01)01606-5 496, 141 (2002).
111. A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
112. C. N. J. Wagner, J. Non.-Cryst. Sol. JNCSBJ 0022-3093 10.1016/0022-3093(78)90097-2 31, 1 (1978).
113. K. S. Vahvaselkä, Phys. Status Solidi A PSSABA 0031-8965 10.1002/pssa.2210720126 72, 261 (1982).
114. A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2404663 125, 224106 (2006).
115. H. Ehrenreich and M. H. Cohen, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.115.786 115, 786 (1959).
116. A. Rényi, in Proceedings of the Fourth Berkeley Symposium on Mathematical Statistics and Probability, edited by, J. Neyman, (University of California Press, Berkeley, 1961), Vol. 1, p. 547.
117. K. Zyczkowski, Open Sys. Information Dyn. 1230-1612 10.1023/A: 1025128024427 10, 297 (2003).
118. C. E. Shannon, Bell Syst. Tech. J. 27, 379 (1948).
119. C. E. Shannon, Bell Syst. Tech. J. 30, 50 (1951).
120. J. P. Lewis, J. Pikus, T. E. Cheatham, III, E. B. Starikov, H. Wang, J. Tomfohr, and O. F. Sankey, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/1521-3951(200209)233:1<90::AID-PSSB90>3.0.CO;2-F 233, 90 (2002).
121. J. P. Lewis, T. E. Cheatham, III, E. B. Starikov, H. Wang, and O. F. Sankey, J. Phys. Chem. B 1520-6106 10.1021/jp026772u 107, 2581 (2003).
122. B. Mirbach and H. J. Korsch, Ann. Phys. APNYA6 0003-4916 10.1006/aphy.1997.5775 265, 80 (1998).
123. R. Atta-Fynn, P. Biswas, P. Ordejón, and D. A. Drabold, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.085207 69, 085207 (2004).
124. B. Cai and D. A. Drabold, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.075216 84, 075216 (2011).
125. P. Sorantin and K. Schwarz, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic00030a009 31, 567 (1992).
126. B. Jiang, J. M. Zuo, N. Jiang, M. O'Keeffe, and J. C. H. Spence, Acta Cryst. Mater. A ACACEQ 0108-7673 10.1107/S010876730301122X 59, 341 (2003).
127. J. D. DeLoach, G. Scarel, and C. R. Aita, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.369553 85, 2377 (1999).
128. J. Tauc, R. Grigorovici, and A. Vancu, Phys. Status Solidi PSSBBD 0370-1972 10.1002/pssb.19660150224 15, 627 (1966).
129. J. Tauc, A. Menth, and D. L. Wood, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.25.749 25, 749 (1970).
130. J. Tauc (ed.), Amorphous and Liquid Semiconductors (Plenum Press, London, 1974).
131. P. Kubelka and F. Munk, Zeitschrift für technische Physik 12, 593 (1931).
132. P. Kubelka, J. Opt. Soc. Am. JOSAAH 0030-3941 10.1364/JOSA.38.000448 38, 448 (1948).
133. M. Turowski, H. Ehlers, and D. Ristau, Laser Zentrum Hannover e.V. (LZH) (unpublished).
134. Y. Yamada, H. Uyama, T. Murata, and H. Nozoye, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.1388617 19, 2479 (2001).
135. M. H. Suhail, G. M. Rao, and S. Mohan, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.351264 71, 1421 (1992).
136. G. Lucovsky, J. Optoelectron. Adv. Mater. 3, 155 (2001).
137. X. G. Kong, Y. Yu, and T. Gao, Euro Phys. J. B EPJBFY 1434-6028 10.1140/epjb/e2010-00215-2 76, 365 (2010).