Electronic Structure of Layered Oxides Containing M2O7 (M = V, Nb) Double Octahedral Slabs

Inorganic Chemistry

Volumn 35, Issue 5, 1996, Pages 1179-1184

  Rousseau, Roger ^a,b   Palacín, Maria Rosa ^a   Gómez Romero, Pedro ^a   Canadell, Enric ^a,c  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b UNIVERSITY OF MICHIGAN   (United States)

^c UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001656938     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic951048u     Document Type: Article

References (30)

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14. (b) Palacín. M. R.; Lira, M.; García, J. L.; Caldés, M. T.; Casan̄-Pastor, N.; Fuertes, A.; Gómez-Romero. P. Mater. Res. Bull., in press.
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17. (a) Canadell, E., Whangbo, M.-H. Chem. Rev. 1991, 91, 965.
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19. Armstrong, A. R.; Anderson, P. A. Inorg. Chem. 1994, 33, 4366.
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21. v values. The atomic parameters used in the calculations were taken from previous work (Canadell, E.; Jobic, S.; Brec, R.; Rouxel, J.; Whangbo, M.-H. J. Solid State Chem. 1992, 99, 189; Whangbo, M.-H.; Schneemeyer, L. F. Inorg. Chem. 1986, 25, 2425).
22. v values. The atomic parameters used in the calculations were taken from previous work (Canadell, E.; Jobic, S.; Brec, R.; Rouxel, J.; Whangbo, M.-H. J. Solid State Chem. 1992, 99, 189; Whangbo, M.-H.; Schneemeyer, L. F. Inorg. Chem. 1986, 25, 2425).
23. v values. The atomic parameters used in the calculations were taken from previous work (Canadell, E.; Jobic, S.; Brec, R.; Rouxel, J.; Whangbo, M.-H. J. Solid State Chem. 1992, 99, 189; Whangbo, M.-H.; Schneemeyer, L. F. Inorg. Chem. 1986, 25, 2425).
24. v values. The atomic parameters used in the calculations were taken from previous work (Canadell, E.; Jobic, S.; Brec, R.; Rouxel, J.; Whangbo, M.-H. J. Solid State Chem. 1992, 99, 189; Whangbo, M.-H.; Schneemeyer, L. F. Inorg. Chem. 1986, 25, 2425).
25. Canadell, E.; Whangbo, M.-H. Phys Rev. B 1991, 43, 1894 (1991).
26. Note that the area of the Fermi surface of Figure 4 looks twice as large as that of Figure 2c. This is due to the fact that the area of the unit cell in reciprocal space has been reduced by half because of the unit cell doubling in real space.
27. Wheeler, R. A.; Whangbo. M.-H.; Hughbanks, T. R.; Hoffmann, R.; Burden, J. K.; Albright, T. A. J. Am. Chem. Soc. 1986, 108, 2222.
28. Dion, M.; Ganne, M.; Tournoux, M., Ravez, J. Rev. Chim. Miner. 1984, 21, 92.
29. For a related study concerning this point, see: Albright, T. A.; Yee, K. A.; Whangbo, M.- H.; Jung. D. Angew. Chem., Int. Ed. Engl. 1989, 25, 750.
30. g-block bands. The CDW instability in this material has also been attributed to hidden ID Fermi surface nesting, which seems to depend very sensitively on the octahedral distortions of the double layer We thank the authors for communication of these results before publication.