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Title: Point defects and ion migration in PbFCl

Abstract

Atomistic simulation techniques have been applied to PbFCl in order to calculate the energetics of defect formation and ion transport mechanisms in the undoped material. Schottky-like disorder is computed to be the dominant ionic defect. The activation energies for a variety of anion vacancy migration mechanisms are calculated and found to be in good agreement with experiment.

Authors:
 [1]
  1. Eastman Kodak Co., Rochester, NY (USA)
Publication Date:
OSTI Identifier:
6973306
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry; (USA)
Additional Journal Information:
Journal Volume: 85:2; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; LEAD CHLORIDES; PHASE STUDIES; POINT DEFECTS; CALCULATION METHODS; FLUORIDES; LATTICE PARAMETERS; MATHEMATICAL MODELS; THEORETICAL DATA; CHLORIDES; CHLORINE COMPOUNDS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; DATA; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; INFORMATION; LEAD COMPOUNDS; LEAD HALIDES; NUMERICAL DATA; 360602* - Other Materials- Structure & Phase Studies

Citation Formats

Islam, M S. Point defects and ion migration in PbFCl. United States: N. p., 1990. Web. doi:10.1016/S0022-4596(05)80081-7.
Islam, M S. Point defects and ion migration in PbFCl. United States. https://doi.org/10.1016/S0022-4596(05)80081-7
Islam, M S. 1990. "Point defects and ion migration in PbFCl". United States. https://doi.org/10.1016/S0022-4596(05)80081-7.
@article{osti_6973306,
title = {Point defects and ion migration in PbFCl},
author = {Islam, M S},
abstractNote = {Atomistic simulation techniques have been applied to PbFCl in order to calculate the energetics of defect formation and ion transport mechanisms in the undoped material. Schottky-like disorder is computed to be the dominant ionic defect. The activation energies for a variety of anion vacancy migration mechanisms are calculated and found to be in good agreement with experiment.},
doi = {10.1016/S0022-4596(05)80081-7},
url = {https://www.osti.gov/biblio/6973306}, journal = {Journal of Solid State Chemistry; (USA)},
issn = {0022-4596},
number = ,
volume = 85:2,
place = {United States},
year = {Sun Apr 01 00:00:00 EST 1990},
month = {Sun Apr 01 00:00:00 EST 1990}
}