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Inter-atomic force constants from correlation effects among thermal displacement of atoms in PbTe

Xianglian*; Sakuma, Takashi*; Mohapatra, S. R.*; Uehara, Hiroyuki*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki   

Diffuse neutron scattering measurements have been performed on powder PbTe at 10 and 294 K. Oscillatory diffuse scattering intensity is clearly observed at 294 K. Oscillatory form of the diffuse neutron scattering intensity for PbTe was explained on inclusion of correlation effects among thermal displacements of atoms. From the values of correlation effects and Debye-Waller temperature parameter, force constants among the first nearest neighboring atoms was calculated, $$alpha$$ $$_{rm Pb-Te}$$ = 215 eV/nm$$^{2}$$, and the second ones were $$alpha$$ $$_{rm Pb-Pb}$$ =108 eV/nm$$^{2}$$ and $$alpha$$ $$_{rm Te-Te}$$ = 144 eV/nm$$^{2}$$ at 294 K.

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Category:Chemistry, Physical

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