畸变结晶镉的温度依赖扩展x射线吸收精细结构振荡分析

Tong Sy Tien
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摘要

本文用一种有效的计算模型分析了变形结晶镉的温度依赖扩展x射线吸收精细结构(EXAFS)。分析过程是基于评估温度对EXAFS振荡相移和幅度减小的影响,该影响用EXAFS Debye-Waller因子表示。基于畸变结晶镉的非调和有效势,通过扩展非调和相关Debye模型,计算了非调和EXAFS累积量。数值计算结果与实验数据和其他模型在不同温度下的计算结果吻合较好。结果表明,该理论模型可用于畸变结晶金属的EXAFS实验数据的计算和分析。
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Analysis of Temperature-dependent Extended X-ray Absorption Fine Structure Oscillation of Distorted Crystalline Cadmium
In this paper, the temperature-dependent extended X-ray absorption fine structure (EXAFS) of distorted crystalline cadmium has been analyzed using an efficient calculation-model. The analysis procedure is based on evaluating the influence of temperature on the phase shift and amplitude reduction of EXAFS oscillation that is expressed in terms of the EXAFS Debye-Waller factor. The anharmonic EXAFS cumulants are calculated by expanding the anharmonic correlated Debye model based on the anharmonic effective potential that depends on the structural characteristics of distorted crystalline cadmium. The numerical results satisfy well with those obtained using the experimental data and other models at various temperatures. The obtained results indicate that this theoretical model is useful for calculating and analyzing the experimental EXAFS data of distorted crystalline metals.
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