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- W2034399406 endingPage "2317" @default.
- W2034399406 startingPage "2314" @default.
- W2034399406 abstract "We have examined structural instabilities and elastic anomalies in CuCl via first-principles calculations and find that its crystal structure is not ideal zinc blende but that correlated displacements of groups of four Cu atoms lead to a more stable configuration. About 20% of the Cu atoms are estimated to be affected. The Cu-Cu distance in the C${mathrm{u}}_{4}$ complex shrinks from 3.82 to 2.72 AA{}, close to that of metallic Cu. The energetics of defect formation are examined also for CuBr and CuI." @default.
- W2034399406 created "2016-06-24" @default.
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- W2034399406 date "1996-03-25" @default.
- W2034399406 modified "2023-09-23" @default.
- W2034399406 title "Ground State Structural Anomalies in Cuprous Halides: CuCl" @default.
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- W2034399406 doi "https://doi.org/10.1103/physrevlett.76.2314" @default.
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