Polarization effects in the AgBr interaction potential

Ching Hwa Kiang; William A. Goddard

doi:10.1021/j100039a021

Polarization effects in the AgBr interaction potential

Ching Hwa Kiang
, William A. Goddard

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

Abstract

A pairwise additive interaction potential (including a shell model to account for ion polarizabilities) was developed for describing crystalline AgBr. It was constructed by fitting experimental data, including lattice constant, phonon frequencies at the Γ and X points, dielectric constant, cohesive energy, and elastic constants. The predicted results compare favorably with experimentally measured values. The influence of polarization effects on the various crystal properties is discussed.

Original language	English
Pages (from-to)	14334-14339
Number of pages	6
Journal	Journal of Physical Chemistry
Volume	99
Issue number	39
DOIs	https://doi.org/10.1021/j100039a021
Publication status	Published - 1 Jan 1995
Externally published	Yes

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@article{9df68b40997240d5a066679e8c82e8ef,

title = "Polarization effects in the AgBr interaction potential",

abstract = "A pairwise additive interaction potential (including a shell model to account for ion polarizabilities) was developed for describing crystalline AgBr. It was constructed by fitting experimental data, including lattice constant, phonon frequencies at the Γ and X points, dielectric constant, cohesive energy, and elastic constants. The predicted results compare favorably with experimentally measured values. The influence of polarization effects on the various crystal properties is discussed.",

author = "Kiang, \{Ching Hwa\} and Goddard, \{William A.\}",

year = "1995",

month = jan,

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doi = "10.1021/j100039a021",

language = "English",

volume = "99",

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journal = "Journal of Physical Chemistry",

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T1 - Polarization effects in the AgBr interaction potential

AU - Kiang, Ching Hwa

AU - Goddard, William A.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - A pairwise additive interaction potential (including a shell model to account for ion polarizabilities) was developed for describing crystalline AgBr. It was constructed by fitting experimental data, including lattice constant, phonon frequencies at the Γ and X points, dielectric constant, cohesive energy, and elastic constants. The predicted results compare favorably with experimentally measured values. The influence of polarization effects on the various crystal properties is discussed.

AB - A pairwise additive interaction potential (including a shell model to account for ion polarizabilities) was developed for describing crystalline AgBr. It was constructed by fitting experimental data, including lattice constant, phonon frequencies at the Γ and X points, dielectric constant, cohesive energy, and elastic constants. The predicted results compare favorably with experimentally measured values. The influence of polarization effects on the various crystal properties is discussed.

UR - https://www.scopus.com/pages/publications/18144406044

U2 - 10.1021/j100039a021

DO - 10.1021/j100039a021

M3 - Article

AN - SCOPUS:18144406044

SN - 0022-3654

VL - 99

SP - 14334

EP - 14339

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 39

ER -

Polarization effects in the AgBr interaction potential

Abstract

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