Hostname: page-component-586b7cd67f-r5fsc Total loading time: 0 Render date: 2024-11-25T17:55:07.708Z Has data issue: false hasContentIssue false
  • English
  • Français

Lead Stereochemistry in Incommensurate Ferroelectric Perovskites and in Incommensurate Lead Monoxide

Published online by Cambridge University Press:  01 February 2011

Gianguido Baldinozzi ,
Jean-Marc Raulot  and
Ram Seshadri
Gianguido Baldinozzi
Affiliation:
SPMS, CNRS Ecole Centrale Paris, 92295 Chatenay-Malabry, France
Jean-Marc Raulot
Affiliation:
SPMS, CNRS Ecole Centrale Paris, 92295 Chatenay-Malabry, France
Ram Seshadri
Affiliation:
SSSCU, Indian Institute of Science, Bangalore, India
Get access

Abstract

We have performed Rietveld refinements on neutron and synchrotron diffraction patterns and density functional calculations on various ferroelectric lead perovskites and on α lead monoxide (litharge). These structural data have allowed to shed some light on lead stereochemistry in these compounds. In particular, we discuss the changing in the lead behaviour between the paraelectric cubic phases and the low temperature anti or ferroelectric phases in Pb2CoWO6 and Pb2MgTeO6 (both incommensurate), in Pb2MgWO6 (antiferroelectric) and in PbMg1/3Nb2/3O3 (relaxor). The possible phase transition mechanisms are reviewed and the bonds are compared to those in the aperiodic structure of α-lead monoxide.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 718: Symposium D – Perovskite Materials , 2002 , D12.7
Copyright
Copyright © Materials Research Society 2002

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Lines, M. E., Principles and applications of ferroelectric and related materials, Oxford University Press (1996).Google Scholar
2. Cross, L. E., Ferroelectrics, 151 305 (1994)Google Scholar
3. Davies, P. K. and Akbas, M. A. J. Phys. Chem Solids, 61, 159 (2000)Google Scholar
4. Cohen, R. E., Nature, 358 136 (1992); R. E. Cohen, J. Phys. Chem Solids, 61 139 (2000).Google Scholar
5. Wang, C-Z, Yu, R and Krakauer, H., Phys Rev B 54, 11161 (1996)Google Scholar
6. Ghosez, Ph., Ph.D. thesis, Université Catholique de Louvain (1997)Google Scholar
7. Cohen, R. E., Ferroelectrics, 194 323 (1997)Google Scholar
8. Krakauer, H., Yu, R, Wang, C-Z and Lasota, C, Ferroelectrics 206 133 (1998).Google Scholar
9. Rabe, K. M., Cockayne, E., First principle calculations for ferroelectrics, 5th Williamsbourg Workshop, AIP, 61 (1998); Ph. Ghosez, E. Cockayne, U. V. Waghmare and K. M. Rabe, Phys. Rev. B, 60 836 (1999).Google Scholar
10. Petricek, V. and Dusek, M., The crystallographic computing system Jana, Institute of Physics, Praha, Czech Republic (2000).Google Scholar
11.http://www.pcpm.ucl.ac.be/ABINIT.Google Scholar
12. Goedecker, S., Teter, M., Hutter, J., Phys Rev B 54, 1703 (1996).Google Scholar
13. Tank, R. W., Jepsen, O., Burkhardt, A., Andersen, O. K., The stuttgart TB-LMTO-ASA program (version 47) MPI für Festkörperforschung, Stuttgart, Germany 1998.Google Scholar
14. Kuhs, W. F., Acta Crystallogr A 48, 80 (1992).Google Scholar
15. Kiat, J. M., Baldinozzi, G., Dunlop, M., Malibert, C., Dkhil, B., Ménoret, C., Masson, O. and Fernandez-Diaz, M. T., J.Phys.: Cond. Matter 12, 8411 (2000).Google Scholar
16. Baldinozzi, G., Sciau, P., Pinot, M. and Grebille, D., Acta Crystallogr. B 51 668 (1995).Google Scholar
17. Malibert, C., Dkhil, B., Kiat, J. M., Durand, D., Bérar, J. F. and Spasojevic-de-Biré, A., J.Phys.: Cond. Matter 9 7485 (1997)Google Scholar
18. Baldinozzi, G., Grebille, D., Sciau, P., Kiat, J. M., Moret, J. and Bérar, J. F., J. Phys.: Cond. Matter 10, 6461 (1998).Google Scholar
19. Bonin, M., Paciorek, W., Schenk, K. and Chapuis, G., Acta Crystallogr. B 51, 48 (1995).Google Scholar
20. Baldinozzi, G., Calvarin, G., Sciau, P., Grebille, D. and Suard, E., Acta Crystallogr. B 56, 570 (2000).Google Scholar
21. Trinquier, G. and Hoffmann, R., J. Phys. Chem, 88, 6696 (1984).Google Scholar
22. Watson, G. W. and Parker, S. C., J. Phys. Chem B 103, 1285 (1999). G. W. Watson, S. C. Parker, G. Kresse, Phys. Rev. B, 59 8481(1999)Google Scholar
23. Terpstra, H. J., Groot, R. A. De and Haas, C., Phys. Rev B 52 11690 (1995)Google Scholar
24. Raulot, J. M., Baldinozzi, G., Seshadri, R. and Cortona, P., Solid St. Sci. 4 467 (2002).Google Scholar
25. Seshadri, R., Baldinozzi, G., Felser, C. and Tremel, W., J. Mater. Chem., 9 2463 (1999)Google Scholar