Perovskite transparent conducting oxides: An ab initio study

Journal of Physics Condensed Matter

Volumn 25, Issue 41, 2013, Pages

  Dabaghmanesh, S ^a   Saniz, R ^a   Amini, M N ^a   Lamoen, D ^a   Partoens, B ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ELECTRON EFFECTIVE MASS; FORMATION ENERGIES; GROWTH CONDITIONS; POLYCRYSTALLINE; SCATTERING RATES; SHALLOW DONORS; TRANSPARENT CONDUCTING OXIDE;

ELECTRONIC STRUCTURE; POINT DEFECTS;

CRYSTAL IMPURITIES;

CALCIUM DERIVATIVE; OXIDE; PEROVSKITE; TITANIUM;

CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; REFRACTOMETRY; ARTICLE;

CALCIUM COMPOUNDS; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDES; REFRACTOMETRY; TITANIUM;

EID: 84884890125     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/41/415503     Document Type: Article

References (46)

1. Bädeker K 1907 Ann. Phys., Lpz. 22 749
2. Calnan S and Tiwari A N 2010 Thin Solid Films 518 1839
3. King P D C and Veal T D 2011 J. Phys.: Condens. Matter 23 334214
4. Ellmer K 2012 Nature Photon. 6 808
5. Minami T and Miyata T 2008 Thin Solid Films 517 1474
6. Wang H F, Liu Q Z, Chen F, Gao G Y, Wu W and Chen X H 2007 J. Appl. Phys. 101 106105 (Pubitemid 46872079)
7. Kim H J, Kim U, Kim H M, Mun H S, Jeon B, Hong K T, Lee W, Ju Ch, Kim K H and Char K 2012 Appl. Phys. Express 5 061102
8. Kim H J et al 1986 Phys. Rev. B 86 165205
9. Mizoguchi H, Kamiya T, Matsuishi S and Hosono H 2011 Nature Commun. 2 470
10. Segev D and Wei S-H 2005 Phys. Rev. B 71 125129 (Pubitemid 40771092)
11. Mansourian-Hadavi N, Wansom S, Perry N H, Nagaraja A R, Mason T O, Ye L-H and Freeman A J 2010 Phys. Rev. B 81 075112
12. Dixit H, Saniz R, Cottenier S, Lamoen D and Partoens B 2012 J. Phys.: Condens. Matter 24 205503
13. Paier J, Marsman M, Hummer K, Kresse G, Gerber I C and Ángyán J G 2006 J. Chem. Phys. 124 154709
14. Oba F, Togo A, Tanaka I, Paier J and Kresse G 2008 Phys. Rev. B 77 245202
15. Deák P, Aradi B, Frauenheim T, Janzén E and Gali A 2010 Phys. Rev. B 81 153203
16. Ville V, Ville H, Tuomisto F and Puska M J 2012 Phys. Rev. B 86 144101
17. Freeman A J, Poeppelmeier K R, Mason T O, Chang R P H and Marks T J 2000 MRS Bull. 25 45
18. Van de Walle C G and Neugebauer J 2004 J. Appl. Phys. 95 3851
19. Janotti A, Varley J B, Lyons J L and Van de Walle C G 2012 Functional Metal Oxide Nanostructures ed J Wu, J Cao, W-Q Han, A Janotti and H-C Kim (New York: Springer) p 23
20. Dreizler R M and Gross E K U 1990 Density Functional Theory (Berlin: Springer)
21. Blöchl P E 1994 Phys. Rev. B 50 17953
22. Kresse G and Hafner J 1994 Phys. Rev. B 49 14251
23. Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 (Pubitemid 126412269)
24. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
25. Heyd J, Scuseria G E and Ernzerhof M 2003 J. Chem. Phys. 118 8207
26. Shimizu Y, Syono Y and Akimoto S 1970 High Temp. - High Press. 2 113
27. Singh D J, Papaconstantopoulos D A, Julien J P and Cyrot-Lackmann F 1991 Phys. Rev. B 44 9519
28. Moreira E, Henriques J M, Azevedo D L, Caetano E W S, Freire V N, Fulco U L and Albuquerque E L 2012 J. Appl. Phys. 112 043703
29. Shimizu Y, Fukuyama Y, Narikiyo T, Arai H and Seiyama T 1985 Chem. Lett. 14 377
30. Mizoguchi H, Woodward P M, Park C-H and Keszler D A 2004 J. Am. Chem. Soc. 126 9796 (Pubitemid 39036175)
31. Saniz R, Dixit H, Lamoen D and Partoens B 2010 Appl. Phys. Lett. 97 261901
32. Liu H-R, Yang J-H, Xiang H J, Gong X G and Wei S-H 2012 arXiv:1209.2845
33. Mizoguchi H, Eng H W and Woodward P M 2004 Inorg. Chem. 43 1667
34. Grzechnik A, Chizmeshya A V G, Wolf G H and McMillan P F 1998 J. Phys.: Condens. Matter 10 221
35. Prokopalo O I 1976 Ferroelectrics 14 683
36. Trari M, Doumerc J-P, Dordor P, Pouchard M, Behr G and Krabbes G 1994 J. Phys. Chem. Solids 55 1239
37. Huang T, Nakamura T, Itoh M, Inaguma Y and Ishiyama O 1995 J. Math. Sci. 30 1556
38. Robertson J and Falabretti B 2010 Handbook of Transparent Conductors ed D S Ginley (New York: Springer) p 27
39. Visscher L and Dyall K 1997 At. Data Nucl. Data Tables 67 207 (Pubitemid 127172249)
40. Huang K, Aoyagi M, Chen M N, Crasemann B and Mark H 1976 At. Data Nucl. Data Tables 18 243
41. Schleife A, Fuchs F, Rödl C, Furthmüller J and Bechstedt F 2009 Appl. Phys. Lett. 94 012104
42. Masterton W L, Slowinski E J and Stanitski C L 1985 Chemical Principles (Philadelphia, PA: Saunders)
43. Amini M N, Saniz R, Lamoen D and Partoens B 2011 J. Appl. Phys. 110 063521
44. Lyons J L, Janotti A and Van de Walle C G 2012 Phys. Rev. Lett. 108 156403
45. Janotti A and Van de Walle C G 2005 Appl. Phys. Lett. 87 122102 (Pubitemid 41717369)
46. Scanlon D O 2013 Phys. Rev. B 87 161201(R)