Gradient de champ électrique dans SnO2 et SnF4 interprétation des mesures d'éclatement quadrupolaire et évaluation de la polarisabilité anionique

We have been interested in why only materials with a high dielectric constant such as Ti02, W03, and H-Nb 0 are able t o make u s e of crystallographic s h e a r (CS) report /4/, t o clarify this question, we calculated, by using Madelung's method (i. e., direct summation), the Madelung potential at each site in rutile (Ti02) which was treated as an ionic crystal. Using the Madelung potential at 4+ the titanium site, we then determined the electronic polarisability of the T i ion following Ruffa' s theory /5/. Moreover, we calculated the ionic polarisa- 2-bility of the Tih ion and the electronic and ionic polarisabilities of the 0 ion using the electronic polarisability of the Ti4+ ion and the static and optical dielectric constants of stoichiometric rutile determined experimentally. The electronic polarisability of the 02-ion was found to be large in value compared with that of other 3d transition metal oxides in which CS planes are not observed when they are reduced. We suggested in our previous paper /4/ that the high dielectric constant is due to the high electronic polarisability of the 02-ion and the formation of CS planes in non-stoichiometric rutile is possibly connected with the high electronic polarisability of the oxygen. Ewald' s method. However, Ewald' s method is generally employed in calculating Madelung potentials of ions in ionic crystals for the following two reasons. As Redlack and Grindlay suggested /6/, Ewald' s method is applicable to any Bravais lattice and the Madelung potentials obtained by this approach are independent 1) Tokiwadai, Hodogaya-ku, Yokohama 240, Japan.2 ) Bradford BD 7 1 DP, West Yorkshire, Great Britain.

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Polarisabilities of ions in rutile (TiO₂) calculated with Madelung potentials determined by Ewald's method

Iguchi

Sawatari

Tilley

1981

Physica Status Solidi (b)

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Experimental evaluation of the sternheimer quadrupole antishielding factor γ∞ for the tetravalent neptunium ion

Thévenin

Cousson

1987

Journal of Solid State Chemistry

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Mössbauer lattice parameters of mixed tin fluoride α-Sn2F6

Fournès

Lagassie

Potin

et al. 1986

Materials Research Bulletin

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Gradient de champ électrique dans SnO2 et SnF4 interprétation des mesures d'éclatement quadrupolaire et évaluation de la polarisabilité anionique

Cited by 6 publications

References 15 publications

Polarisabilities of ions in rutile (TiO₂) calculated with Madelung potentials determined by Ewald's method

Polarisabilities of ions in rutile (TiO₂) calculated with Madelung potentials determined by Ewald's method

Experimental evaluation of the sternheimer quadrupole antishielding factor γ∞ for the tetravalent neptunium ion

Mössbauer lattice parameters of mixed tin fluoride α-Sn2F6

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Gradient de champ électrique dans SnO2 et SnF4 interprétation des mesures d'éclatement quadrupolaire et évaluation de la polarisabilité anionique

Cited by 6 publications

References 15 publications

Polarisabilities of ions in rutile (TiO2) calculated with Madelung potentials determined by Ewald's method

Polarisabilities of ions in rutile (TiO2) calculated with Madelung potentials determined by Ewald's method

Experimental evaluation of the sternheimer quadrupole antishielding factor γ∞ for the tetravalent neptunium ion

Mössbauer lattice parameters of mixed tin fluoride α-Sn2F6

Contact Info

Product

Resources

About

Polarisabilities of ions in rutile (TiO₂) calculated with Madelung potentials determined by Ewald's method

Polarisabilities of ions in rutile (TiO₂) calculated with Madelung potentials determined by Ewald's method