Lattice Dynamics of LaFeAsO1-xFx and PrFeAsO1-y via Inelastic X-Ray Scattering and First-Principles Calculation

被引:41
作者
Fukuda, Tatsuo [1 ,2 ]
Baron, Alfred Q. R. [1 ,3 ]
Shamoto, Shin-ichi [4 ]
Ishikado, Motoyuki [4 ]
Nakamura, Hiroki [5 ,6 ]
Machida, Masahiko [5 ,6 ]
Uchiyama, Hiroshi [1 ,3 ]
Tsutsui, Satoshi [3 ]
Iyo, Akira [7 ]
Kito, Hijiri [7 ]
Mizuki, Jun'ichiro [2 ]
Arai, Masatoshi [8 ]
Eisaki, Hiroshi [7 ]
Hosono, Hideo [9 ,10 ]
机构
[1] SPring 8, RIKEN, Mat Dynam Lab, Sayo, Hyogo 6795148, Japan
[2] SPring 8, JAEA, Synchrotron Radiat Res Unit, Sayo, Hyogo 6795148, Japan
[3] SPring 8, JASRI, Res & Utilizat Div, Sayo, Hyogo 6795148, Japan
[4] JAEA, Neutron Mat Res Ctr, Naka, Ibaraki 3191195, Japan
[5] JAEA, JST, CREST, Tokyo 1101195, Japan
[6] JAEA, Ctr Computat Sci and e Syst, Tokyo 1101195, Japan
[7] AIST, Nanoelect Res Inst, Tsukuba, Ibaraki 3058568, Japan
[8] JAEA, J PARC Ctr, Naka, Ibaraki 3191195, Japan
[9] Tokyo Inst Technol, JST, ERATO SORST, Yokohama, Kanagawa 2268503, Japan
[10] Tokyo Inst Technol, Frontier Res Ctr, Yokohama, Kanagawa 2268503, Japan
关键词
phonon density of states; dispersion relation; softening; iron-based superconductor; inelastic x-ray scattering; first-principles calculation;
D O I
10.1143/JPSJ.77.103715
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The lattice dynamics of LaFeAsO1-xFx (x = 0, 0.1) and PrFeAsO1-y (y similar to 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 PrFeAsO1-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%.
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页数:4
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