Estimation of force constants of Al from diffuse neutron scattering measurement

中性子散漫散乱実験を利用したAlの力定数の算定

Makhsun*; 橋本 拓也*; 佐久間 隆*; 高橋 東之*; 神嶋 修*; 井川 直樹   ; Danilkin, S. A.*

Makhsun*; Hashimoto, Takuya*; Sakuma, Takashi*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki; Danilkin, S. A.*

中性子散漫散乱法によるAlにおける原子熱振動の相関効果について、本報にて新しく提案した相関効果モデルから原子間力定数を算定した。さらに、これを用いたコンピュータシミュレーションによるフォノン分散や状態密度や比熱の評価について議論する。

The correlations of atomic thermal displacements in Al were obtained from the analysis of diffuse neutron scattering intensity. The interatomic force constants were determined from the correlation effects using a newly introduced equation. The derived force constants and the crystal structure of Al were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The calculated phonon dispersion relations and specific heat of Al are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.