Comparative study of rutile and anatase SnO2 and TiO 2: Band-edge structures, dielectric functions, and polaron effects

Journal of Applied Physics

Volumn 113, Issue 8, 2013, Pages

  Dou, Maofeng ^a   Persson, Clas ^a,b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

BORN EFFECTIVE CHARGE; CHEMICAL COMPOSITIONS; ELECTRON PHONON COUPLINGS; ELECTRONIC BAND GAPS; EXCHANGE-CORRELATIONS; FIRST-PRINCIPLES APPROACHES; OPTICAL AND ELECTRONIC PROPERTIES; STATIC DIELECTRIC CONSTANTS;

ELECTRONIC PROPERTIES; LIGHT ABSORPTION; OXIDE MINERALS; PHONONS; POLARONS;

TITANIUM DIOXIDE;

EID: 84874863000     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4793273     Document Type: Article

References (48)

1. D. F. Zhang, L. D. Sun, J. L. Yin, and C. H. Yan, Adv. Mater. 15, 1022 (2003); 10.1002/adma.200304899
2. E. Fortunato, P. Barquinha, and R. Martins, Adv. Mater. 24, 2945 (2012). 10.1002/adma.201103228
3. G. Sberveglieri, Sens. Actuators, B 6, 239 (1992); 10.1016/0925-4005(92) 80062-3
4. S. R. Davis, A. Wilson, and J. D. Wright, IEE Proc.: Circuits Devices Syst. 145, 379 (1998). 10.1049/ip-cds:19982236
5. S. A. Campbell, D. C. Gilmore, X. C. Wang, M. T. Hsieh, H. S. Kim, W. L. Gladfelter, and J. Yan, IEEE Trans. Electron Devices 44, 104 (1997); 10.1109/16.554800
6. K. Kim, C. G. Hwang, and J. G. Lee, IEEE Trans. Electron Devices 45, 598 (1998). 10.1109/16.661221
7. C. D. Canestraro, M. M. Oliveira, R. Valaski, M. V. S. da Silva, D. G. F. David, I. Pepe, A. F. da Silva, L. S. Roman, and C. Persson, Appl. Surf. Sci. 255, 1874 (2008); 10.1016/j.apsusc.2008.06.113
8. C. D. Canestraro, L. S. Roman, and C. Persson, Thin Solid Films 517, 6301 (2009). 10.1016/j.tsf.2009.02.063
9. C. Persson and S. Mirbt, Braz. J. Phys. 36, 286 (2006); 10.1590/S0103-97332006000300014
10. C. Persson and A. Ferreira da Silva, Appl. Phys. Lett. 86, 231912 (2005). 10.1063/1.1940739
11. C. Persson and A. Zunger, Phys. Rev. B 68, 073205 (2003); 10.1103/PhysRevB.68.073205
12. F. Thomazi, L. S. Roman, A. F. Silva, and C. Persson, Phys. Status Solidi C 6, 2740 (2009). 10.1002/pssc.200982548
13. C. L. Dong, C. Persson, L. Vayssieres, A. Augustsson, T. Schmitt, M. Mattesini, R. Ahuja, C. L. Chang, and J. H. Guo, Phys. Rev. B 70, 195325 (2004). 10.1103/PhysRevB.70.195325
14. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003); 10.1063/1.1564060
15. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906 (2006). 10.1063/1.2204597
16. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999); 10.1103/PhysRevB.59.1758
17. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
18. A. Togo, F. Oba, and I. Tanaka, Phys. Rev. B 78, 134106 (2008). 10.1103/PhysRevB.78.134106
19. X. Gonze and C. Lee, Phys. Rev. B 55, 10355 (1997); 10.1103/PhysRevB.55. 10355
20. Y. Wang, J. J. Wang, W. Y. Wang, Z. G. Mei, S. L. Shang, L. Q. Chen, and Z. K. Liu, J. Phys.: Condens. Matter 22, 202201 (2010). 10.1088/0953-8984/22/20/ 202201
21. M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 73, 045112 (2006). 10.1103/PhysRevB.73.045112
22. H. Kuzmany, Solid State Spectroscopy: A Introduction (Springer, Berlin, 2009), p. 117;
23. S. Meneses, J. F. Brun, P. Echegut, and P. Simon, Appl. Spectrosc. 58, 969 (2004), and the references therein. 10.1366/0003702041655467
24. O. Madelung, Semiconductor Basic Data, 2nd revised ed. (Springer, Berlin, 1996), p. 201.
25. J. Pascual, J. Camassel, and H. Mathieu, Phys. Rev. B 18, 5606 (1978). 10.1103/PhysRevB.18.5606
26. Y. Tezuka, S. Shin, T. Ishii, T. Ejima, S. Suzuki, and S. Sato, J. Phys. Soc. Jpn. 63, 347 (1994). 10.1143/JPSJ.63.347
27. H. Tang, K. Prasad, R. Sanjines, P. E. Schmid, and E. Levy, J. Appl. Phys. 75, 2042 (1994). 10.1063/1.356306
28. H. Tang, F. Levy, H. Berger, and P. E. Schmid, Phys. Rev. B 52, 7771 (1995). 10.1103/PhysRevB.52.7771
29. G. Sanon, R. Rup, and A. Mansingh, Phys. Status Solidi A 135, 581 (1993); 10.1002/pssa.v135:2
30. J. A. Marley and R. C. Dockerty, Phys. Rev. B 140, A304 (1965). 10.1103/PhysRev.140.A304
31. R. G. Berckenridge and W. R. Hosler, Phys. Rev. 91, 793 (1953). 10.1103/PhysRev.91.793
32. M. Stamate, G. Lazar, and I. Lazar, Rom. J. Phys. 53, 217 (2008).
33. L. Chiodo, J. M. García-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B 82, 045207 (2010). 10.1103/PhysRevB.82. 045207
34. J. Kang, S. Tsunekawa, and A. Kasuya, Appl. Surf. Sci. 174, 306 (2001); 10.1016/S0169-4332(01)00184-2
35. A. Amtout and R. Leonelli, Phys. Rev. B 51, 6842 (1995). 10.1103/PhysRevB.51.6842
36. Z. Wang, U. Helmersson, and P. O. Käll, Thin Solid Films 405, 50 (2002). 10.1016/S0040-6090(01)01767-9
37. W. Kang and M. S. Hybertsen, Phys. Rev. B 82, 085203 (2010), and the references therein. 10.1103/PhysRevB.82.085203
38. 2) optical properties, dielectric constants.," in Springer Materials-The Landolt-Börnstein Database, edited by, O. Madelung, U. Rössler, and, M. Schulz, (Springer). 10.1007/10681727-775
39. T. A. Darvis and K. Vedam, J. Opt. Soc. Am. 58, 1446 (1968). 10.1364/JOSA.58.001446
40. P. A. Parker, Phys. Rev. 124, 1719 (1961). 10.1103/PhysRev.124.1719
41. R. J. Gonzalez, R. Zallen, and H. Berger, Phys. Rev. B 55, 7014 (1997). 10.1103/PhysRevB.55.7014
42. J. G. Traylor, H. G. Smith, R. M. Nicklow, and M. K. Wilkinson, Phys. Rev. B 3, 3457 (1971). 10.1103/PhysRevB.3.3457
43. T. Ohsaka, F. Izumi, and Y. Fujiki, J. Raman Spectrosc. 7, 321 (1978). 10.1002/jrs.1250070606
44. R. S. Katiyar, P. Dawson, M. M. Hargreave, and G. R. Wilkinson, J. Phys. C 4, 2421 (1971). 10.1088/0022-3719/4/15/027
45. D. M. Eagles, J. Phys. Chem. Solids 25, 1243 (1964). 10.1016/0022- 3697(64)90022-8
46. K. Hübwer, Phys. Status Solidi B 68, 223 (1975). 10.1002/pssb.2220680121
47. P. Ghosez, J. P. Michenaud, and X. Gonze, Phys. Rev. B 58, 6224 (1998). 10.1103/PhysRevB.58.6224
48. M. P. Marder, Condensed Matter Physics, 2nd revised ed. (Wiley, New Jersey, 2010), p. 671.