Abstract

A treatment to get the thermal factor T j ( Q ) at site j for a harmonic and anharmonic potential field was discussed. A transformation of the scattering vector Q j = R j -1 Q 1 was introduced in the treatment where R j is the rotational part of a symmetry operation which transforms the atomic positions from r 1 to r j . This method can be applied to a general potential form including the 1st, 2nd, 3rd and higher order components. An application of the treatment to solid electrolytes α-AgI, β-AgI 3 SI and β-Ag 3 SBr was studied.

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