X射线吸收精细结构
材料科学
冶金
物理
光谱学
量子力学
作者
Yoshihiro Okamoto,Tsuyoshi Yaita,Kazuo Minato
标识
DOI:10.1016/j.jnoncrysol.2003.09.059
摘要
Abstract The local structure of solid and molten SrCl 2 was investigated by X-ray absorption fine structure technique. According to the curve fitting analysis with assessment of the anharmonic vibration effect, the nearest Sr 2+ –Cl − distance and the coordination number are 2.99 ± 0.01 A and 6.6 ± 0.2 in molten state. XAFS functions calculated from molecular dynamics simulation results were compared with the experimental XAFS data.
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