Lattice Dynamics of LaFeAsO1-xFx and PrFeAsO1-y via Inelastic X-Ray Scattering and First-Principles Calculation
Lattice Dynamics of LaFeAsO1-xFx and PrFeAsO1-y via Inelastic X-Ray Scattering and First-Principles Calculation
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DOI：
10.1143/jpsj.77.103715
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发表时间：
2008-08
影响因子：
1.7
通讯作者：
T. Fukuda;A. Baron;S. Shamoto;M. Ishikado;H. Nakamura;M. Machida;H. Uchiyama;S. Tsutsui;A. Iyo;H. Kitô;J. Mizuki;M. Arai;H. Eisaki;H. Hosono
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文献类型：
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作者：
T. Fukuda;A. Baron;S. Shamoto;M. Ishikado;H. Nakamura;M. Machida;H. Uchiyama;S. Tsutsui;A. Iyo;H. Kitô;J. Mizuki;M. Arai;H. Eisaki;H. Hosono
用非弹性X射线散射和从头算方法研究了LaFeAsO 1-xFx（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一个近似的声子DOS，而分散测量从单晶的PrFeAsO 1- y。通过将Fe-As键的强度降低30%，根据从头计算结果建立了一个与室温下所有数据相当一致的模型。
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 reducing the strength of the Fe–As bond by 30%.