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

原子熱変位相関効果によるGeの原子間力定数とフォノン散乱の評価

佐久間 隆*; Mohapatra, S. R.*; 磯崎 信宏*; 上原 寛之*; Xianglian*; Basar, K.*; 高橋 東之*; 神嶋 修*; 井川 直樹   

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

Geの中性子散漫散乱実験を行い、Ge中の第1,第2及び第3近接原子間の力定数を相関効果とDebye-Waller温度因子から評価した。その結果、80Kにおける第1,第2及び第3近接原子間の力定数は各々363eV/nm$$^{2}$$, 232eV/nm$$^{2}$$及び200eV/nm$$^{2}$$と求めることができた。

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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パーセンタイル:18.17

分野:Materials Science, Ceramics

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