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Environmental effects on anion polarizability: variation with lattice parameter and coordination number

Research was conducted to examine environmental effects on anion polarizability. Ab initio calculation results of in-crystal ionic polarizabilities over a wide range of lattice parameters are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr and MgO. A functional form was proposed to express t... Full description

Journal Title: Journal of Physical Chemistry A Oct 22, 1998, Vol.102(43), p.8377(9)
Main Author: Jemmer, Patrick
Other Authors: Fowler, Patrick W. , Wilson, Mark , Madden, Paul A.
Format: Electronic Article Electronic Article
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ID: ISSN: 1089-5639
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recordid: gale_ofa53942609
title: Environmental effects on anion polarizability: variation with lattice parameter and coordination number
format: Article
creator:
  • Jemmer, Patrick
  • Fowler, Patrick W.
  • Wilson, Mark
  • Madden, Paul A.
subjects:
  • Polarization (Electricity) -- Research
  • Anions -- Research
  • Crystal Lattices -- Research
ispartof: Journal of Physical Chemistry A, Oct 22, 1998, Vol.102(43), p.8377(9)
description: Research was conducted to examine environmental effects on anion polarizability. Ab initio calculation results of in-crystal ionic polarizabilities over a wide range of lattice parameters are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr and MgO. A functional form was proposed to express the polarizability in terms of the nearest-neighbor cation-anion and anion-anion separations. Results indicate that the function is able to predict the polarizability in different crystal structures and substances.
language:
source:
identifier: ISSN: 1089-5639
fulltext: fulltext
issn:
  • 1089-5639
  • 10895639
url: Link


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identifierISSN: 1089-5639
subjectPolarization (Electricity) -- Research ; Anions -- Research ; Crystal Lattices -- Research
descriptionResearch was conducted to examine environmental effects on anion polarizability. Ab initio calculation results of in-crystal ionic polarizabilities over a wide range of lattice parameters are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr and MgO. A functional form was proposed to express the polarizability in terms of the nearest-neighbor cation-anion and anion-anion separations. Results indicate that the function is able to predict the polarizability in different crystal structures and substances.
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titleEnvironmental effects on anion polarizability: variation with lattice parameter and coordination number.
descriptionResearch was conducted to examine environmental effects on anion polarizability. Ab initio calculation results of in-crystal ionic polarizabilities over a wide range of lattice parameters are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr and MgO. A functional form was proposed to express the polarizability in terms of the nearest-neighbor cation-anion and anion-anion separations. Results indicate that the function is able to predict the polarizability in different crystal structures and substances.
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abstractResearch was conducted to examine environmental effects on anion polarizability. Ab initio calculation results of in-crystal ionic polarizabilities over a wide range of lattice parameters are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr and MgO. A functional form was proposed to express the polarizability in terms of the nearest-neighbor cation-anion and anion-anion separations. Results indicate that the function is able to predict the polarizability in different crystal structures and substances.
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