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- W2037384227 abstract "The accurate calculation of defect entropies is necessary to obtain concentrations of defects and the rates of defect-controlled processes. The authors compare two methods of calculating such entropies-the large crystallite and the supercell methods-and show that they give the same answer for the trial cases considered. Some problems encountered when considering charged systems are discussed." @default.
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- W2037384227 date "1988-11-20" @default.
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- W2037384227 title "A comparison of methods for calculating defect entropies in ionic crystals" @default.
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- W2037384227 doi "https://doi.org/10.1088/0022-3719/21/32/002" @default.
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