Cation-deficient lanthanum manganite oxides: Experimental and theoretical studies

Solid State Sciences

Volumn 11, Issue 4, 2009, Pages 885-893

  Hammami, Ramzi ^a,b   Harrouch Batis, Narjes ^b   Batis, Habib ^b,c   Minot, Christian ^a  

^a SORBONNE UNIVERSITÉ   (France)

^b UNIVERSITY OF CARTHAGE   (Tunisia)

^c FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

Author keywords

Defect distribution; DFT; Non stoichiometry; Perovskites; Vacancies; VASP

Indexed keywords

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MANGANESE OXIDE; MANGANITES; OXYGEN; PEROVSKITE; POSITIVE IONS; SINGLE CRYSTALS; STOICHIOMETRY; VACANCIES; X RAY DIFFRACTION;

DEFECT DISTRIBUTION; GENERALIZED GRADIENT APPROXIMATIONS; JAHN-TELLER INSTABILITY; NON STOICHIOMETRY; PEROVSKITE STRUCTURES; VASP; VIENNA AB-INITIO SIMULATION PACKAGES; XRD (X RAY DIFFRACTION);

OXYGEN VACANCIES;

EID: 63449141380     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2008.12.013     Document Type: Article

References (57)

1. Alcock C.B., Carberry J.J., Doshi R., and Gunasekaran N. J. Catal. 143 (1993) 533
2. Batis N.H., Delichere P., and Batis H. Appl. Catal. A: General 282 (2005) 173
3. Choudhary T.V., Banerjee S., and Choudhary V.R. Appl. Catal. A: General 234 (2002) 1
4. McCarty J.G., and Wise H. Catal. Today 8 (1990) 231
5. Omata K., Yamazaki O., Tomita K., and Fujimoto K. J. Chem. Soc. Chem. Commun. 14 (1994) 1647
6. Pena M.A., and Fierro J.L.G. Chem. Rev. 101 (2001) 2018
7. Lago R., Bini G., Pena M.A., and Fierro J.L.G. J. Catal. 167 (1997) 198
8. Tagawa T., and Imai H. J. Chem. Soc. Faraday Trans. 84 (1988) 923
9. Tejuca L.G., Fierro J.L.G., and Tasco J.M.D. Adv. Catal. 36 (1989) 237
10. Teraoka Y., Nii H., Kagawa S., Jansson K., and Nygren M. J. Mater. Chem. 6 (1996) 97
11. Yamazoe N., and Teraoka Y. Catal. Today 8 (1990) 175
12. Zhong G.Q., Xiong H., and Jia Y.Q. Mater. Chem. Phys. 91 (2005) 10
13. Van Doorn R.H.E., Bouwmeester H.J.M., and Burgraaf A.J. Solid State Ionics 111 (1998) 263
14. Ishigaki T., Yamauchi S., Kishio K., Mizusaki J., and Fueki K. J. Solid State Chem. 73 (1988) 179
15. Lane J.A., Benson S.J., Waller D., and Kilner J.A. Solid State Ionics 121 (1999) 201
16. Minh N.Q. J. Am. Chem. Soc. 76 (1993) 563
17. De Souza R.A., and Kilner J.A. Solid State Ionics 126 (1999) 153
18. Gunasekaran N., Carberry J.J., Doshi R., and Alcock C.B. J. Catal. 146 (1994) 583
19. Kremnic G., Nieto J.M.L., Tascon J.M.D., and Tejuka L.G. J. Chem. Soc. Faraday Trans. 81 (1985) 939
20. Nitadori T., Kurihara S., and Misono M. J. Catal. 98 (1986) 221
21. Petrolikas P.D., and Metcalfe I.S. J. Catal. 152 (1995) 147
22. Voorhoeve R.J.H., Remeika J.P., Trimble L.E., Cooper A.S., Disalvo F.J., and Gallager P.K. J. Solid State Chem. 14 (1975) 395
23. Yao Y. J. Catal. 36 (1975) 266
24. van Roosmalen J.A.M., and Cordfunke E.H.P. J. Solid State Chem. 110 (1995) 106
25. van Roosmalen J.A.M., Vlaanderen P.V., Cordfunke E.H.P., Ijdo W.L., and Ijdo D.J.W. J. Solid State Chem. 114 (1995) 516
26. Tofield B.C., and Scott W.R. J. Solid State Chem. 10 (1974) 183
27. Töpfer J., and Goodenough J.B. J. Solid State Chem. 130 (1997) 117
28. Voorhoeve R.J.H. Adv. Mater. Catal. (1977) 129
29. Yahia M., and Batis H. Eur. J. Inorg. Chem. (2003) 2486-2494
30. Malavasi L., Ritter C., Mozzati M.C., Tealdi C., Islam M.S., Azzoni C.B., and Flor G. J. Solid State Chem. 178 (2005) 2042
31. Malavasi L. J. Mater. Chem. 18 (2008) 3295
32. De Souza R.A., Islam M.S., and Ivers-Tiffée E. J. Mater. Chem. 9 (1999) 1621
33. Arulraj A., Mahesh R., Subbanna G.N., Mahendiran R., Raychaudhuri A.K., and Rao C.N.R. J. Solid Chem. 127 (1996) 87
34. Bosak A.A., Gorbenko O.Y., Kaul A.R., Graboy I.E., Dubourdieu C., Senateur J.P., and Zandbergen H.W. J. Magn. Magn. Mater. 211 (2000) 61
35. In: Vogel A.I. (Ed). A Text-book of Quantitative Inorganic Analysis Including Elementary Instrumental Analysis (1961), Longman
36. Kresse G., and Hafner J. Phys. Rev. B 48 (1993) 13115
37. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
38. Kresse G., and Hafner J. Phys. Rev. B 49 (1994) 14251
39. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
40. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 78 (1997) 1396
41. Kresse G., and Hafner J. J. Phys. Condens. Matter. 6 (1994) 8245
42. Jin S., Tiefel T.H., Wolfe R., Sherwood R.C., and Mottine Jr. J.J. Science 255 (1992) 446
43. Töpfer J., Doumerc J.-P., and Grenier J.-C. J. Mater. Chem. 6 (1996) 1511
44. Muñoz D., Harrison N.M., and Illas F. Phys. Rev. B 69 (2004) 085115
45. Pickett W.E., and Singh D.J. Phys. Rev. B 53 (1996) 1146
46. Chainani A., Mathew M., and Sarma D.D. Phys. Rev. B 47 (1993) 15397
47. Arima T., Tokura Y., and Torrance J.B. Phys. Rev. B 48 (1993) 17006
48. Solovyev I., Hamada N., and Terakura K. Phys. Rev. B 53 (1996) 7158
49. Ravindran P., Vidya R., FjellvÅg H., and Kjekshus A. J. Cryst. Growth 268 (2004) 554-559
50. Moreno L.C., Valencia J.S., Téllez D.A.L., Arbey Rodríguez M J., Martínez M.L., Roa-Rojas J., and Fajardo F. J. Magn. Magn. Mater. 320 (2008) e19-e21
51. Wollan E.O., and Koehler W.C. Phys. Rev. 100 (1955) 545
52. Sadoc A., Broer R., and de Graaf C. J. Chem. Phys. 126 (2007) 134709-134801
53. Verelst M., Rgavittal N., Rao C.N.R., and Rousset A. J. Solid State Chem. 74 (1993) 104
54. Mahesh R., Kannan K.R., and Rao C.N.R. J. Solid State Chem. 114 (1995) 294
55. Chanini A., Mathew M., and Sarma D.D. Phys. Rev. B 47 (1993) 15397
56. Huang Q., Santoro A., Lynn J.W., Erwin R.W., Borchers J.A., Peng J.L., and Greene R.L. Phys. Rev. B 55 (1997) 14987
57. Grundy A.N., Hallstedt B., and Gauckler L.J. Solid State Ionics 173 (2004) 17