A simple method to evaluate the Coulomb potential at the polar surface of an ionic crystal

W. Ebert; H. H. Kung

doi:10.1016/0009-2614(85)85298-2

A simple method to evaluate the Coulomb potential at the polar surface of an ionic crystal

W. Ebert^*, H. H. Kung

^*Corresponding author for this work

Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

In the evaluation of the Coulomb potential at a polar surface of an ionic crystal modelled by a slab, a satisfactory criterion to determine the effect of the second surface of the slab is lacking. A method is proposed to remove the effect of the second surface such that the potential at a polar surface of a semi-infinite crystal can be uniquely calculated.

Original language	English (US)
Pages (from-to)	203-206
Number of pages	4
Journal	Chemical Physics Letters
Volume	118
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(85)85298-2
State	Published - Jul 19 1985

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(85)85298-2

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title = "A simple method to evaluate the Coulomb potential at the polar surface of an ionic crystal",

abstract = "In the evaluation of the Coulomb potential at a polar surface of an ionic crystal modelled by a slab, a satisfactory criterion to determine the effect of the second surface of the slab is lacking. A method is proposed to remove the effect of the second surface such that the potential at a polar surface of a semi-infinite crystal can be uniquely calculated.",

author = "W. Ebert and Kung, {H. H.}",

note = "Funding Information: Support of this work by NSF grant DMR 82-l 6972 through the Northwestern Universrty Materials Research Center is gratefully acknowledged.",

year = "1985",

month = jul,

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doi = "10.1016/0009-2614(85)85298-2",

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T1 - A simple method to evaluate the Coulomb potential at the polar surface of an ionic crystal

AU - Ebert, W.

AU - Kung, H. H.

N1 - Funding Information: Support of this work by NSF grant DMR 82-l 6972 through the Northwestern Universrty Materials Research Center is gratefully acknowledged.

PY - 1985/7/19

Y1 - 1985/7/19

N2 - In the evaluation of the Coulomb potential at a polar surface of an ionic crystal modelled by a slab, a satisfactory criterion to determine the effect of the second surface of the slab is lacking. A method is proposed to remove the effect of the second surface such that the potential at a polar surface of a semi-infinite crystal can be uniquely calculated.

AB - In the evaluation of the Coulomb potential at a polar surface of an ionic crystal modelled by a slab, a satisfactory criterion to determine the effect of the second surface of the slab is lacking. A method is proposed to remove the effect of the second surface such that the potential at a polar surface of a semi-infinite crystal can be uniquely calculated.

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U2 - 10.1016/0009-2614(85)85298-2

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M3 - Article

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SP - 203

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2

ER -

A simple method to evaluate the Coulomb potential at the polar surface of an ionic crystal

Abstract

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