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Estimation of inter-atomic force constants and phonon dispersion using correlation effects among thermal displacement of atoms in Ge

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

The oscillatory diffuse scattering intensity of Ge was observed by neutron scattering measurement. The force constants among the first, second and third nearest neighboring atoms in Ge were determined from the values of correlation effects and Debye-Waller temperature parameters. The inter-atomic force constants among the first, second and third nearest neighboring atoms at 80 K in Ge are 363 eV/nm$$^{2}$$, 232 eV/nm$$^{2}$$ and 200 eV/nm$$^{2}$$, respectively.

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Category:Materials Science, Ceramics

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