LaFeAsO_{1-x} F_{x}和PrFeAsO_{1-y}晶格动力学的非弹性X射线散射和第一性原理计算
Lattice Dynamics of LaFeAsO_{1-x}F_{x} and PrFeAsO_{1-y} via Inelastic X-Ray Scattering and First-Principles Calculation
摘要：
用非弹性X射线散射和从头算方法研究了LaFeAsO_{1-x}、F_{x}（x=0，0.1）和PrFeAsO_{1-y}（y~0.1）的晶格动力学.粉末样品的测量提供了声子DOS的近似值，而色散是从PrFeAsO_{1-y}的单晶测量的。一个模型，同意在室温下的所有数据相当不错，从从头计算的结果软化的Fe-As键的强度由30%。
英文摘要：
The lattice dynamics of LaFeAsO_{1-x}F_{x} (x=0, 0.1) and PrFeAsO_{1-y} (y~0.1) are investigated using inelastic x-ray scattering and ab-initio calculation. Measurements of powder samples provide an approximation to the phonon DOS, while dispersion is measured from a single crystal of PrFeAsO_{1-y}. A model that agrees reasonably well with all of the data at room temperature is built from results of ab-initio calculations by softening the strength of the Fe-As bond by 30%.
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