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Einstein Oscillators In Thallium Filled Antimony Skutterudites, Raphaël P. Hermann, Rongying Jin, Werner Schweika, Fernande Grandjean, David G. Mandrus, Brian C. Sales, Gary J. Long

Chemistry Faculty Research & Creative Works

Heat capacity measurements were performed on Tl_0.8Co₄Sb₁₁Sn. An Einstein vibrating behavior for the thallium atoms was found. The inelastic neutron scattering measurements on T_0.8Co₄Sb₁₁Sn, Tl_0.5Co_3.5Fe_0.5Sb₁₂, and Tl_0.8Co₃FeSb₁₂ showed a localized vibrational mode, which confirmed this Einstein vibrational behavior. Furthermore, the 56±2 K temperature of the Einstein vibrational mode obtained from the heat capacity measurements showed excellent agreement with the 5 meV energy or 57±2 K values obtained from the neutron scattering measurements.