Article ID Journal Published Year Pages File Type
1295827 Solid State Ionics 2005 5 Pages PDF
Abstract

The anharmonic effective pair potentials V(u) = au2/2 + bu3/3! + cu4/4! for I–Cu bond in γ-, β- and α-CuI have been investigated by the EXAFS technique. The EXAFS spectra near the I L3-edge were measured from 73 to 873 K. In the parameter fitting, we have directly carried out the numerical integration of EXAFS function and evaluated the precise anharmonic effective pair potentials. The effective pair potentials do not change appreciably through the phase transitions, though the extent of anharmonicity is larger in α-CuI than in γ- and β-CuI. The superionic conducting α-CuI has a broad interatomic potential which is similar to those in CuBr and CuCl and the displacements of cation and anion correlate strongly with each other in thermal vibration.

Related Topics
Physical Sciences and Engineering Chemistry Electrochemistry
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