Abstract
The Cu K-edge EXAFS (extended X-ray absorption fine structure) of CuBr has been measured at room temperature. An anharmonic pair potential for the Cu–Br bond introduced as Φ(u)=Φ0+(1/2!)αu2+(1/3!)βu3 in a central-field approximation is determined by numerical integration of the EXAFS function: obtained values of α and β are 2.28(4) eV/Å2 and -8(1) eV/Å3, respectively, and the Grüneisen parameter γ G=-(R0/6)(β/α) is obtained as 1.5(2) using these values. These values are concluded to be reasonable from comparison with previously obtained Grüneisen parameters and from studying phonon dispersion relations.
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