Chemical bond in ferroelectric perovskites

Ferroelectrics

Volumn 237, Issue 1-4, 2000, Pages 57-64

  Tkacz Smiech, Katarzyna ^a   Kolezynski, A ^a   Ptak, W S ^a  

^a AGH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Poland)

Author keywords

Atomic effective charge; O and jt chemical bond; Octahedral hybridization; Orbital overlapping; Perovskites; Valence bond theory

Indexed keywords

CHEMICAL BONDS; CRYSTAL ATOMIC STRUCTURE; CRYSTAL LATTICES; ELECTRON ENERGY LEVELS; FERROELECTRICITY; NEGATIVE IONS; OXYGEN; PEROVSKITE; PHASE TRANSITIONS;

ELECTRON CHARGE LOCALIZATION; FERROELECTRIC PEROVSKITE; IONIC EFFECTIVE CHARGES; OCTAHEDRAL HYBRIDIZATION; ORBITAL OVERLAPPING; OXYGEN OCTAHEDRON VOLUME; VALENCE BOND THEORY;

FERROELECTRIC MATERIALS;

EID: 0043068521     PISSN: 00150193     EISSN: None     Source Type: Journal    
DOI: 10.1080/00150190008216232     Document Type: Article

References (19)

1. A.F. Devonshire, Phil. Mag., 40, 1040 (1949).
2. J.C. Slater, Phys. Rev., 78, 748 (1950).
3. I.B. Bersuker, Phys. Lett., 20, 589 (1966).
4. R.E. Cohen, Nature, 358, 136 (1992).
5. R.E. Cohen, H. Krakauer, Phys. Rev. B. 42, 6416 (1990).
6. R.E. Cohen, H. Krakauer, Ferroelectric, 136, 65 (1992).
7. K.H. Weyrich, Ferroelectric!, 79, 65 (1988).
8. K.H. Weyrich, R. Siems, Z Phys. B, 61, 63 (1985).
9. R. Yu, H. Krakauer, Phys. Rev. Lett., 74, 4067 (1995).
10. R. Resta, M. Posternak, A. Baldereschi, Phys. Rev. Lett., 70, 1010 (1993).
11. A.V. Postnikov, T. Neumann, G. Borstel, Phys. Rev. B, 48, 5910 (1993).
12. H. Thomann, Ferroelectrics, 73, 183 ( 1987).
13. R.I. Eglitis, A.V. Postnikov, G. Borstel, Phys. Rev. B, 55, 12976 (1997).
14. E. Görlich, Nature, 192, 133 (1961).
15. E. Görlich, The effective nuclear charges and the electronegativity, PAN, Krakow 1 999.
16. L. Pauling, The nature of the chemical bond and the structure of molecules and crys tals, Cornel Univ. Press, 1969.
17. R.S. Mulliken, C.A. Rieke, D. Orloff, H. Orloff, J.'chem. Phys., 27, 439 (1949).
18. K. Tkacz, W.S. Ptak, A. Kolezyriski, Int. J. Quantum Client. 57, 1097 (1996).
19. K. Tkacz-Smiech, A. Kolezyiîski, W.S. Ptak. in preparation.