Empirical electronic polarizabilities of ions for the prediction and interpretation of refractive indices: Oxides and oxysalts

Shannon, R. D.; Fischer, R. X.

doi:10.2138/am-2016-5730

Cited by 77 publications

(125 citation statements)

References 56 publications

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“…Another approach can be used to calculate the oxide anion polarizability according to the following equation:

α_{O^{2 -}}^{} = α_{-}^{o} \times 10^{- N_{0} V_{a n}^{- s}}

where

α_{-}^{o}

is the free‐ion polarizability and V an is the anion molar volume (calculated from the molar volume V m divided by the number of O 2− ). Different values for the exponent s starting from 0.66 up to 1.2 have been used by others for calculating the

α_{O^{2 -}}^{}

. In the present work, it is found that a value of s = 0.899 is the best to give values of

α_{O^{2 -}}^{}

comparable with those calculated using Equation .…”

Section: Resultsmentioning

confidence: 99%

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As₂ O₃ .V₂ O₅ .FeO Glasses

Ahmed

El-Ghamaz

Edres³

2018

Phys. Status Solidi A

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A series of glasses having the composition x%As2O3·(80−x)%V2O5·20%FeO with (25 ≤ x ≤ 45) is prepared by the melt quenching technique. Complete amorphous nature of the glasses is confirmed from the XRD results. The density values are found to increase with increasing the concentration of the As2O3 in the samples, while the molar volume and the oxygen ion density values decrease with increasing the ratios of the As2O3 in the samples. The calculated values of optical basicity decreases with increasing the %As2O3 in the glasses, and the refractive index of the studied glasses is found to be around 1.8. The calculated average single bond strength values suggest that the ionic character is dominant between the bonds formed in the glass structure. The investigated glasses are probably good candidates for nonlinear optical applications as confirmed from the electronic polarizability and 3rd order nonlinear susceptibility χ(3) calculations. Several types of bonds and groups formed within the glass matrix are investigated and confirmed from the FTIR spectroscopy measurement. Thermal characteristics and glass stability are investigated by the DSC measurement. Activation energy for glass transition and crystallization as well as many other kinetic characteristics are studied.

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“…Another approach can be used to calculate the oxide anion polarizability according to the following equation:

α_{O^{2 -}}^{} = α_{-}^{o} \times 10^{- N_{0} V_{a n}^{- s}}

where

α_{-}^{o}

α_{O^{2 -}}^{}

. In the present work, it is found that a value of s = 0.899 is the best to give values of

α_{O^{2 -}}^{}

comparable with those calculated using Equation .…”

Section: Resultsmentioning

confidence: 99%

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As₂ O₃ .V₂ O₅ .FeO Glasses

Ahmed

El-Ghamaz

Edres³

2018

Phys. Status Solidi A

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“…Static and dynamic polarizabilities show similar effects but dynamic polarizabilities are more useful because significantly more dynamic polarizability data are available. In Shannon and Fischer, using dynamic polarizabilities obtained from refractive indices determined at λ = 589.3 nm ( n D ) from a more extensive list of compounds, we identified more sterically strained structures such as Na 4.4 Ca 3.8 Si 6 O 18 (combeite), Ca 3 MgSi 2 O 8 (merwinite), NaScSi 2 O 6 (jervisite), Ca 2 Al 3 Si 3 O 12 OH (clinozoisite), and CaSO 4 (anhydrite). More recently, systematic deviations were also found in the SS compounds M 2+ SO 4 · n H 2 O, blödite (Na 2 M 2+ (SO 4 ) 2 ·4H 2 O), and kieserite‐related minerals (see ref.…”

Section: Introductionmentioning

confidence: 61%

“…Shannon and Fischer have evaluated ≈2600 dynamic polarizabilities derived from the refractive indices n D , of ≈1200 minerals and 675 synthetic compounds to yield a unique set of individual electronic polarizabilities of ions which can be used for the interpretation of optical properties. The total polarizabilities of a compound can be calculated from the observed refractive indices using the Anderson–Eggleton relationship …”

Section: Introductionmentioning

confidence: 99%

“…Considering that the total polarizability can be calculated also from the sum of the individual polarizabilities of the ions (taken from Tables 4 and 5 in ref. []) observed polarizabilities can be compared with the corresponding calculated values. We found that the calculated mean values of < α AE > for 650 minerals and synthetic compounds differ by less than 3% from the observed values …”

Section: Introductionmentioning

confidence: 99%

“…[]) observed polarizabilities can be compared with the corresponding calculated values. We found that the calculated mean values of < α AE > for 650 minerals and synthetic compounds differ by less than 3% from the observed values …”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity

Shannon

Kabanova

Fischer

2019

Crystal Research and Technology

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Ion conductivity in minerals and compounds is associated with continuous migration paths and leads to negative total electronic polarizability deviations [ = (α obs −α calc )/α obs )] up to 13%. Such deviations can be related to continuous migration paths determined in an earlier Voronoi-Dirichlet Partition (VDP) analysis of fast-ion conductors, that is, compounds such as LiB 3 O 5 with 1D conductivity, Li 4 SiO 4 with 2D conductivity, and Li 2 SO 4 with 3D conductivity. Using the Voronoi-Dirichlet (VD) method in this study, the migration paths and the dimensionality of many more compounds with negative polarizability deviations are identified. Continuous migration paths are found for the confirmed Li-ion conductors LiFePO 4 and Li 3 VO 4 and for the potential Li-ion conductors LiGeBO 4 , CsLiB 6 O 10 , Li 2 Ti 3 O 7 , LiMn 0.8 Fe 0.17 PO 4 , Li 2 NaPO 4 , and LiNaSO 4 . Similarly, continuous migration paths are found for the confirmed

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Structure and Properties of Lead Silicate Glasses

CAURANT,

WALLEZ,

MAJÉRUS

et al. 2024

Lead in Glassy Materials in Cultural Heritage

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Empirical electronic polarizabilities of ions for the prediction and interpretation of refractive indices: Oxides and oxysalts

Cited by 77 publications

References 56 publications

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As₂ O₃ .V₂ O₅ .FeO Glasses

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As₂ O₃ .V₂ O₅ .FeO Glasses

Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity

Structure and Properties of Lead Silicate Glasses

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Empirical electronic polarizabilities of ions for the prediction and interpretation of refractive indices: Oxides and oxysalts

Cited by 77 publications

References 56 publications

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As2 O3 .V2 O5 .FeO Glasses

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As2 O3 .V2 O5 .FeO Glasses

Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity

Structure and Properties of Lead Silicate Glasses

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Product

Resources

About

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As₂ O₃ .V₂ O₅ .FeO Glasses

Thermal Kinetics and Theoretical Third Order Nonlinear Optical Susceptibility of some As₂ O₃ .V₂ O₅ .FeO Glasses